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使用 FTIR 数据对蜂蜜样本进行无监督机器学习聚类。

Clustering honey samples with unsupervised machine learning methods using FTIR data.

机构信息

Inonu University, Department of Informatics,, TR-44280 Malatya, Turkey.

出版信息

An Acad Bras Cienc. 2024 Mar 1;96(1):e20230409. doi: 10.1590/0001-3765202420230409. eCollection 2024.

Abstract

This study utilizes Fourier transform infrared (FTIR) data from honey samples to cluster and categorize them based on their spectral characteristics. The aim is to group similar samples together, revealing patterns and aiding in classification. The process begins by determining the number of clusters using the elbow method, resulting in five distinct clusters. Principal Component Analysis (PCA) is then applied to reduce the dataset's dimensionality by capturing its significant variances. Hierarchical Cluster Analysis (HCA) further refines the sample clusters. 20% of the data, representing identified clusters, is randomly selected for testing, while the remainder serves as training data for a deep learning algorithm employing a multilayer perceptron (MLP). Following training, the test data are evaluated, revealing an impressive 96.15% accuracy. Accuracy measures the machine learning model's ability to predict class labels for new data accurately. This approach offers reliable honey sample clustering without necessitating extensive preprocessing. Moreover, its swiftness and cost-effectiveness enhance its practicality. Ultimately, by leveraging FTIR spectral data, this method successfully identifies similarities among honey samples, enabling efficient categorization and demonstrating promise in the field of spectral analysis in food science.

摘要

本研究利用蜂蜜样本的傅里叶变换红外(FTIR)数据,根据其光谱特征对它们进行聚类和分类。目的是将相似的样本聚在一起,揭示模式并辅助分类。该过程首先使用肘形法确定聚类的数量,得到五个不同的聚类。然后应用主成分分析(PCA)通过捕获其显著方差来降低数据集的维度。层次聚类分析(HCA)进一步细化样本聚类。20%的代表已识别聚类的数据被随机选择用于测试,而其余数据则用作使用多层感知器(MLP)的深度学习算法的训练数据。在训练后,评估测试数据,结果显示出令人印象深刻的 96.15%的准确率。准确率衡量机器学习模型对新数据的类标签进行准确预测的能力。该方法无需进行大量预处理即可可靠地对蜂蜜样本进行聚类。此外,它的快速和成本效益提高了其实用性。最终,通过利用 FTIR 光谱数据,该方法成功地识别了蜂蜜样本之间的相似性,实现了高效的分类,并在食品科学的光谱分析领域展示了前景。

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