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Applications of machine learning in spectroscopy

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Huo Xuesong, Chen Pu, Li Jingyan, Xu Yupeng, Liu Dan & Chu Xiaoli. (2023) Commentary on the review articles of spectroscopy technology combined with chemometrics in the last three years. Applied Spectroscopy Reviews 0:0, pages 1-60.
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Carlos A. Meza Ramirez, Michael Greenop, Yasser A. Almoshawah, Pierre L. Martin Hirsch & Ihtesham U. Rehman. (2023) Advancing cervical cancer diagnosis and screening with spectroscopy and machine learning. Expert Review of Molecular Diagnostics 23:5, pages 375-390.
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Lasse S. Krog, Jacob J. K. Kirkensgaard, Vito Foderà, Ben J. Boyd & Ka̅rlis Be̅rziņš. (2023) Application of Low-Frequency Raman Spectroscopy to Probe Dynamics of Lipid Mesophase Transformations upon Hydration. The Journal of Physical Chemistry B 127:14, pages 3223-3230.
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Jun Zhang, Zihao Liu, Yaoyuan Pu, Jiajun Wang, Binman Tang, Limin Dai, Shuihua Yu & Ruqing Chen. (2023) Identification of Transgenic Agricultural Products and Foods Using NIR Spectroscopy and Hyperspectral Imaging: A Review. Processes 11:3, pages 651.
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Alessandro Puleio, Riccardo Rossi & Pasqualino Gaudio. (2023) Calibration of spectra in presence of non-stationary background using unsupervised physics-informed deep learning. Scientific Reports 13:1.
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Mengfei Zhou, Yinchao Hu, Ruizhen Wang, Tian Guo, Qiqing Yu, Luyue Xia & Xiaofang Sun. (2022) An end‐to‐end deep learning approach for Raman spectroscopy classification. Journal of Chemometrics 37:2.
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Lin Tang, Kaibo Shi & Songke Yu. (2023) Complex Dynamical Sampling Mechanism for the Random Pulse Circulation Model and Its Application. Mathematics 11:3, pages 668.
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Abhiroop Bhattacharya, Jaime A. Benavides, Luis Felipe Gerlein & Sylvain G. Cloutier. (2022) Deep-learning framework for fully-automated recognition of TiO2 polymorphs based on Raman spectroscopy. Scientific Reports 12:1.
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Hai-Peng Wang, Pu Chen, Jia-Wei Dai, Dan Liu, Jing-Yan Li, Yu-Peng Xu & Xiao-Li Chu. (2022) Recent advances of chemometric calibration methods in modern spectroscopy: Algorithms, strategy, and related issues. TrAC Trends in Analytical Chemistry 153, pages 116648.
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Samantha Tetef, Vikram Kashyap, William M. Holden, Alexandra Velian, Niranjan Govind & Gerald T. Seidler. (2022) Informed Chemical Classification of Organophosphorus Compounds via Unsupervised Machine Learning of X-ray Absorption Spectroscopy and X-ray Emission Spectroscopy. The Journal of Physical Chemistry A 126:29, pages 4862-4872.
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Kristian Hovde Liland, Roman Svoboda, Giorgio Luciano & Nikita Muravyev. (2022) Neural networks applied in kinetic analysis of complex nucleation-growth processes: Outstanding solution for fully overlapping reaction mechanisms. Journal of Non-Crystalline Solids 588, pages 121640.
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W. Russ AlgarKatherine D. Krause. (2022) Developing FRET Networks for Sensing. Annual Review of Analytical Chemistry 15:1, pages 17-36.
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C. D. Rankine & T. J. Penfold. (2022) Accurate, affordable, and generalizable machine learning simulations of transition metal x-ray absorption spectra using the XANESNET deep neural network. The Journal of Chemical Physics 156:16, pages 164102.
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Luke Watson, Conor D. Rankine & Thomas J. Penfold. (2022) Beyond structural insight: a deep neural network for the prediction of Pt L 2/3 -edge X-ray absorption spectra . Physical Chemistry Chemical Physics 24:16, pages 9156-9167.
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Zhong‐Hui Shen, Han‐Xing Liu, Yang Shen, Jia‐Mian Hu, Long‐Qing Chen & Ce‐Wen Nan. (2022) Machine learning in energy storage materials. Interdisciplinary Materials 1:2, pages 175-195.
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Ashwin P. Rao, Phillip R. Jenkins & Anil K. Patnaik. (2022) Enabling high-fidelity spectroscopic analysis of plutonium with machine learning. Enabling high-fidelity spectroscopic analysis of plutonium with machine learning.

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