一种LIBS频谱基线校正方法,基于非参数的先前处罚最小方程算法
Shengjie Ma1,2,3, Shilong Xu1,2,3, Youlong Chen1,2,3
1State Key Laboratory of Pulsed Power Laser Technology, National University of Defense Technology, Hefei 230037, People's Republic of China. skl_hyh@163.com.
Analytical methods : advancing methods and applications
|June 19, 2024
概括
一个新的非参数先前惩罚最小方程 (NPPPLS) 算法通过有效纠正光谱背景噪声来改进激光诱导分解光谱 (LIBS) 分析. 这种方法提高了定量分析的准确性,并显示出其他光谱技术的前景.
科学领域:
- 频谱学是一种光谱学.
- 分析化学 分析化学
- 数据科学数据科学数据科学
背景情况:
- 激光诱导分解光谱 (LIBS) 提供实时,非破坏性的多元元素分析.
- 在LIBS的一个重大挑战是频谱中存在连续的背景噪声,这阻碍了准确的分析.
- 现有的基线校正方法通常需要先前的参数知识,并且可能缺乏稳定性.
研究的目的:
- 为LIBS频谱开发一个先进的基线校正方法.
- 通过解决光谱背景干扰来提高LIBS定量分析的准确性.
- 创建一个强大的,适应性的算法,不需要先前的参数设置.
主要方法:
- 为LIBS光谱基线校正提出了一种新的非参数先前惩罚最小方程 (NPPPLS) 算法.
- 引入了一种新的加权方法,以实现更快的收,并将Adam算法结合起来,以进行自适应参数更新.
- 使用模拟数据和实验LIBS光谱验证了该方法,随后进行了单变量和多变量分析.
主要成果:
- 在模拟数据上,NPPPLS算法表现出极好的基线校正性能,即使没有参数先验.
- 该方法显示稳定性和稳定性得到改善,不受初始平衡参数值的影响.
- 基线校正显著提高了定量分析的准确性,多变量分析实现了元素检测的R2为0.99.
结论:
- 拟议的NPPPLS算法有效地纠正了LIBS中的光谱基线,从而提高了定量分析的准确性.
- 由于NPPPLS的适应性和稳定性,使其成为传统方法的优越替代方案.
- 这种方法有可能在其他光谱技术 (如拉曼光谱和近红外光谱) 中进行基线校正.
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