拉曼光谱
拉曼散射
人工智能
机器学习
计算机科学
过程(计算)
大数据
纳米技术
材料科学
光学
物理
数据挖掘
操作系统
作者
Félix Lussier,Vincent Thibault,Benjamin Charron,Gregory Q. Wallace,Jean‐François Masson
标识
DOI:10.1016/j.trac.2019.115796
摘要
Machine learning is shaping up our lives in many ways. In analytical sciences, machine learning provides an unprecedented opportunity to extract information from complex or big datasets in chromatography, mass spectrometry, NMR, and spectroscopy, among others. This is especially the case in Raman and surface-enhanced Raman scattering (SERS) techniques where vibrational spectra of complex chemical mixtures are acquired as large datasets for the analysis or imaging of chemical systems. The classical linear methods of processing the information no longer suffice and thus machine learning methods for extracting the chemical information from Raman and SERS experiments have been implemented recently. In this review, we will provide a brief overview of the most common machine learning techniques employed in Raman, a guideline for new users to implement machine learning in their data analysis process, and an overview of modern applications of machine learning in Raman and SERS.
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