Evaluation of spectral collection strategies for identification of Dalbergia spp. using handheld laser-induced breakdown spectroscopy

IF 2.3 4区 化学 Q1 SOCIAL WORK
Caelin P. Celani, Rachel A. McCormick, Amelia M. Speed, William Johnston, James A. Jordan, Tyler B. Coplen, Karl S. Booksh
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Abstract

The illegal timber trade has significant impact on the survival of endangered tropical hardwood species like Dalbergia spp. (rosewood), a world-wide protected genus from the Convention on International Trade in Endangered Species of Wild Fauna and Flora (CITES). Due to increased threat to Dalbergia spp., and lack of action to reduce threats, port of entry analysis methods are required to identify Dalbergia spp. Handheld laser-induced breakdown spectroscopy (LIBS) has been shown to be capable of identifying species and establishing provenance of Dalbergia spp. and other tropical hardwoods, but analysis methods for this work have yet to be investigated in detail. The present work investigates five well-known algorithms—partial least squares discriminant analysis (PLS-DA), classification and regression trees (CART), k-nearest neighbor (k-NN), random forest (RF), and support vector machine (SVM)—two training/test set sampling regimes, and data collection at two signal-to-noise (S/N) ratios to assess the potential for handheld LIBS analyses. Additionally, imbalanced classes are addressed. For this application, SVM and RF yield near identical results (though RF takes nearly 100 longer to compute), while the S/N ratio has a significant effect on model success assuming all else is equal. It was found that forming a training set with replicate low S/N analyses can perform as well as higher precision training sets for true prediction, even if the predicted samples have low signal to noise! This work confirms handheld LIBS analyzers can provide a viable method for classification of hardwood species, even within the same genus.

手持式激光诱导击穿光谱(LIBS)鉴定黄檀的光谱采集策略评价
非法木材贸易对濒危热带硬木物种的生存造成了重大影响,如达尔伯里木属(花梨木),它是《濒危野生动植物种国际贸易公约》(CITES)中的世界性保护木属。手持式激光诱导击穿光谱仪(LIBS)已被证明能够识别 Dalbergia spp.和其他热带硬木的物种并确定其来源,但这项工作的分析方法还有待详细研究。本研究调查了五种著名的算法--部分最小二乘判别分析 (PLS-DA)、分类和回归树 (CART)、k-近邻 (k-NN)、随机森林 (RF) 和支持向量机 (SVM)--两种训练/测试集采样制度,以及两种信噪比 (S/N) 下的数据采集,以评估手持式 LIBS 分析的潜力。此外,还解决了不平衡类的问题。在这一应用中,SVM 和 RF 得出的结果几乎相同(尽管 RF 的计算时间长了近 100 倍),而信噪比对模型成功与否有显著影响(假设其他条件相同)。研究发现,即使预测样本的信噪比很低,用重复的低信噪比分析结果组成训练集,在真实预测方面的表现也不亚于精度更高的训练集!这项工作证实了手持式 LIBS 分析仪可以为硬木树种的分类提供一种可行的方法,即使是同一属中的树种。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
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来源期刊
Journal of Chemometrics
Journal of Chemometrics 化学-分析化学
CiteScore
5.20
自引率
8.30%
发文量
78
审稿时长
2 months
期刊介绍: The Journal of Chemometrics is devoted to the rapid publication of original scientific papers, reviews and short communications on fundamental and applied aspects of chemometrics. It also provides a forum for the exchange of information on meetings and other news relevant to the growing community of scientists who are interested in chemometrics and its applications. Short, critical review papers are a particularly important feature of the journal, in view of the multidisciplinary readership at which it is aimed.
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