主成分分析
化学
均三甲苯
模式识别(心理学)
生物系统
特征(语言学)
人工智能
瞬态(计算机编程)
分析化学(期刊)
甲苯
指数函数
石墨烯
二甲苯
色谱法
计算机科学
有机化学
纳米技术
数学
材料科学
哲学
数学分析
语言学
生物
操作系统
作者
Eric C. Nallon,Vincent P. Schnee,Collin J. Bright,Michael P. Polcha,Qiliang Li
标识
DOI:10.1021/acs.analchem.5b04050
摘要
A graphene chemical sensor is subjected to a set of structurally and chemically similar hydrocarbon compounds consisting of toluene, o-xylene, p-xylene, and mesitylene. The fractional change in resistance of the sensor upon exposure to these compounds exhibits a similar response magnitude among compounds, whereas large variation is observed within repetitions for each compound, causing a response overlap. Therefore, traditional features depending on maximum response change will cause confusion during further discrimination and classification analysis. More robust features that are less sensitive to concentration, sampling, and drift variability would provide higher quality information. In this work, we have explored the advantage of using transient-based exponential fitting coefficients to enhance the discrimination of similar compounds. The advantages of such feature analysis to discriminate each compound is evaluated using principle component analysis (PCA). In addition, machine learning-based classification algorithms were used to compare the prediction accuracies when using fitting coefficients as features. The additional features greatly enhanced the discrimination between compounds while performing PCA and also improved the prediction accuracy by 34% when using linear discrimination analysis.
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