基于FTIR和NIR光谱学结合化学测量方法的Gastrodia elata Blume物种的快速和准确的识别
Guangyao Li1, Jieqing Li2, Honggao Liu3
1College of Agronomy and Biotechnology, Yunnan Agricultural University, Kunming, 650201, China; Medicinal Plants Research Institute, Yunnan Academy of Agricultural Sciences, Kunming, 650200, China.
Talanta
|September 21, 2024
概括
准确的识别的胃叶蓝色 (G. elata Bl.) 的确切的识别. 品种对药品质量至关重要. 深度学习模型,特别是ResNet,使用光谱数据实现了100%的准确性,超过了传统的机器学习方法.
科学领域:
- 药理学是指药理学,它是指药理学.
- 化学信息学 化学信息学
- 机器学习 机器学习
背景情况:
- 胃的叶子布莱姆 (G. elata Bl.) 的胃的叶子 品种之间质量差异很大,影响活性化合物含量 (多糖,胃素) 和药用功效.
- 准确的物种鉴定对于确保G. elata Bl. 的治疗价值和一致性至关重要. 这些产品.产品.产品.
- 对于G. elata Bl. 的传统方法 鉴定可能是劳动密集型,可能无法完全捕捉微妙的品种差异.
研究的目的:
- 开发和比较机器学习模型,以准确有效地识别G. elata Bl. 一个物种. 一个物种.
- 评估传统机器学习算法的性能与使用光谱数据的深度学习方法相比.
- 评估光谱数据预处理对模型准确性和可靠性的影响.
主要方法:
- 福里埃变换红外 (FTIR) 和近红外 (NIR) 光谱数据从三个G. elata Bl. 一个物种. 一个物种.
- 无监督主要组件分析 (PCA) 和t分布式静态邻居嵌入 (t-SNE) 用于数据可视化.
- 建立和比较了传统的机器学习模型 (PLS-DA,OPLS-DA,SVM) 和深度学习模型 (ResNet).
主要成果:
- 传统的机器学习模型 (PLS-DA,OPLS-DA,SVM) 需要广泛的光谱数据预处理以获得稳定可靠的性能.
- ResNet模型在没有复杂的光谱数据预处理的情况下显示出高精度.
- 在使用原始NIR和组合FTIR+NIR光谱数据的训练和测试集上,ResNet模型实现了100%的准确性.
- 使用FTIR+NIR数据组合的外部验证集达到100%的准确性,而NIR数据只显示了一个分类错误,表明没有过度装配.
结论:
- 深度学习模型,特别是ResNet,为G. elata Bl. Bl. 提供了一种优越的方法. 与传统的机器学习方法相比,物种识别.
- 整合FTIR和NIR光谱数据,特别是深度学习,显著提高了识别的准确性和稳定性.
- ResNet模型提供了一种高度准确,高效和潜在的可自动化方法,用于质量控制和G. elata Bl. Bl. 的品种识别.
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