Department of Mathematics and Research Institute for Convergence of Basic Science, Hanyang University, Seoul, 133-791, Republic of Korea.
Department of Chemistry and Research Institute for Convergence of Basic Science, Hanyang University, Seoul, 133-791, Republic of Korea.
Talanta. 2022 Jan 15;237:122973. doi: 10.1016/j.talanta.2021.122973. Epub 2021 Oct 14.
A weighted twin support vector machine (wTWSVM) was proposed as a potential discriminant analysis tool and its utility was evaluated for near-infrared (NIR) spectroscopic identification of the geographical origins of 12 different agricultural products including black soybean and garlic. In the wTWSVM, weights were applied on each variable in the sample spectra to highlight detailed NIR spectral features and the optimal weights to minimize the discrimination error were iteratively searched. Then, the weighted spectra were employed to determine the samples' geographical origins using a TWSVM adopting two non-parallel hyperplanes for the discrimination. For the performance evaluation, SVM, TWSVM, and wTWSVM were separately used for the two-group discriminations and their accuracies were comparatively analyzed. When the SVM and TWSVM accuracies were compared, the improvements by using the TWSVM were significant (95% confidence level) for 10 out of the 12 products. Moreover, the accuracy improvements with the wTWSVM against SVM were significant for all the 12 products. In the case of the TWSVM-wTWSVM accuracy comparison, the improvements by the wTWSVM were also significant for 10 products, thereby demonstrating superior discrimination performance of wTWSVM. Based on the overall results, the wTWSVM could be a potential chemometric tool for discriminant analysis and expandable to other areas such as spectroscopy-based biomedical disease diagnosis and forensic analysis.
提出了一种加权双支持向量机(wTWSVM)作为潜在的判别分析工具,并评估了其用于近红外(NIR)光谱鉴定 12 种不同农产品(包括黑豆和大蒜)地理来源的效用。在 wTWSVM 中,对样本光谱中的每个变量应用权重,以突出详细的 NIR 光谱特征,并迭代搜索最小化判别误差的最佳权重。然后,使用 TWSVM 采用两个非平行超平面进行判别,根据加权光谱确定样品的地理来源。为了进行性能评估,分别使用 SVM、TWSVM 和 wTWSVM 对两组进行判别,并比较了它们的准确率。当比较 SVM 和 TWSVM 的准确率时,对于 12 种产品中的 10 种,使用 TWSVM 可显著提高准确率(95%置信水平)。此外,与 SVM 相比,wTWSVM 对所有 12 种产品的准确率都有显著提高。在 TWSVM-wTWSVM 准确率比较的情况下,wTWSVM 的改进对 10 种产品也具有统计学意义,从而证明了 wTWSVM 的优越判别性能。基于总体结果,wTWSVM 可能成为判别分析的潜在化学计量学工具,并可扩展到其他领域,如基于光谱的生物医学疾病诊断和法医学分析。