Classification of Salivary Adulterated NS1 SERS Spectra Using PCA-Cosine-KNN

N. H. Othman, K. Y. Lee, A. Radzol, W. Mansor, U. M. Rashid
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引用次数: 1

Abstract

Review of literature on dengue fever (DF) reveals the most popular biomarkers and diagnostic medium are IgG/IgM and blood plasma respectively. As such, the current diagnostic methods are prone to blood borne infection. Presence of nonstructural protein 1 (NS1), another biomarker of DF, was detected in saliva of DF infected subjects using Enzyme-Linked Immunosorbent Assay (ELISA), but of low sensitivity. Our previous work has found Surface Enhanced Raman Spectroscopy (SERS), a confluent of photonic and nano-technology, is able to detect and produce a molecular fingerprint of NS1 from its salivary spectra. This implies an early, non-invasive, blood borne infection free detection method for DF, with the many associated advantages. Since K-nearest neighbor (KNN) is known for its strength in pattern recognition of signals and images, it is chosen to classify between NS1 positively and negatively adulterated NS1 samples here. Our work here intends to investigate the effect of number of nearest neighbours (k-value), classifier rules on KNN classifier with Cosine distance rule, subjected to three termination criteria of Principal Component Analysis (PCA). Healthy and adulterated NS1 samples from our UiTM-NMRR-12-1278-12868-NS1-DENV database were first analyzed with SERS. After pre-processing to remove undesired features, performance of the different KNN classifiers with Cosine distance rule as k-value and classifier rules were varied, with optimized features sets derived from the termination criteria of PCA, were evaluated and compared, in terms of sensitivity, specificity, precision and accuracy. From the results, it is observed that all the classifier models attained the highest performance of 100% in accuracy, precision and ROC performance, except for the Scree-Cosine-KNN models with Consensus classifier rule. And the CPV- KNN models with k-value of 1, 3 or 5 are the best in view of trade-off between computation load and performance, for all classifier rules, when Cosine distance rule is used.
唾液中掺假NS1 SERS光谱的pca - cos - knn分类
对登革热(DF)文献的回顾显示,最流行的生物标志物和诊断介质分别是IgG/IgM和血浆。因此,目前的诊断方法容易引起血源性感染。采用酶联免疫吸附试验(ELISA)在DF感染者唾液中检测到DF的另一生物标志物非结构蛋白1 (NS1)的存在,但灵敏度较低。我们之前的工作已经发现,表面增强拉曼光谱(SERS)是光子和纳米技术的融合,能够从NS1的唾液光谱中检测并产生分子指纹。这意味着一种早期、非侵入性、无血源性感染的DF检测方法,具有许多相关的优势。由于k近邻(KNN)在信号和图像的模式识别中具有很强的强度,因此这里选择KNN在NS1阳性和负掺杂的NS1样本之间进行分类。本文研究了基于余弦距离规则的KNN分类器在主成分分析(PCA)的三个终止准则下,最近邻数(k值)对分类器的影响。首先用SERS分析来自UiTM-NMRR-12-1278-12868-NS1-DENV数据库的健康和掺假NS1样本。在预处理去除不需要的特征后,以余弦距离规则为k值和分类器规则的不同KNN分类器的性能进行了变化,并从PCA的终止准则中获得了优化的特征集,从灵敏度、特异性、精密度和准确度方面进行了评估和比较。从结果中可以看出,除了具有Consensus分类器规则的screen - cos - knn模型外,所有分类器模型在准确率、精密度和ROC性能方面都达到了100%的最高性能。对于所有分类器规则,当使用余弦距离规则时,考虑到计算量和性能之间的权衡,k值为1、3或5的CPV- KNN模型是最好的。
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