拉曼光谱
约束(计算机辅助设计)
模式识别(心理学)
鉴定(生物学)
指纹(计算)
化学
人工智能
基础(线性代数)
样品(材料)
光谱(功能分析)
生物系统
主成分分析
分析化学(期刊)
数据挖掘
计算机科学
光学
色谱法
数学
物理
几何学
植物
量子力学
生物
作者
Wendong Xue,Benneng Chen,Deming Hong,Jiahan Yu,Guokun Liu
标识
DOI:10.1021/acs.analchem.2c00852
摘要
Raman spectrum contains abundant substance information with fingerprint characteristics. However, due to the huge variety of substances and their complex characteristic information, it is difficult to recognize the Raman spectrum accurately. Starting from dimensions like the Raman shift, the relative peak intensity, and the overall hit ratio of characteristic peaks, we extracted and recognized the characteristics in the Raman spectrum and analyzed these characteristics from local and global perspectives and then proposed a comprehensive evaluation method for the recognition of Raman spectrum on the basis of the data fusion of the recognition results under multidimensional constraint. Based on the common spectrum database of the normal Raman and surface-enhanced Raman of thousands of substances, we analyzed the performance of the evaluation method. It shows that even for the identification of spectra from instruments of low technical specifications, the automatic recognition rate of the sample can reach 98% and above, a great improvement compared with that of the common identification algorithms, which proves the effectiveness of the comprehensive evaluation method under multidimensional constraint.
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