利用农业气候信息加强近红外光谱对橄榄油的机器学习分类

IF 2.3 Q1 AGRICULTURE, MULTIDISCIPLINARY ACS agricultural science & technology Pub Date : 2024-10-11 DOI:10.1021/acsagscitech.4c0035510.1021/acsagscitech.4c00355
María Isabel Sánchez-Rodríguez*, Elena Sánchez-López, Alberto Marinas, José María Caridad and Francisco José Urbano, 
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引用次数: 0

摘要

特级初榨橄榄油(EVOO)质量标识的完整性可能会因欺骗性营销行为而受到损害,例如误导性的地理原产地声明或伪造认证标签,即原产地保护标识(PDO)。因此,当务之急是采用环保、快速、经济的分析方法(如近红外(NIR)光谱)来鉴定极地氧化橄榄油。与色谱法等传统技术不同,近红外光谱包含未分辨带;因此,主成分分析(PCA)等化学计量学工具对于从中提取有价值的信息至关重要。本文采用 PCA 方法来降低近红外光谱的高维度。然后将 PCA 因子作为解释变量整合到机器学习分类模型中,从而根据其地理来源或 PDO 对 EVOO 进行分类。此外,通过纳入农业气候数据改进了分类模型,从而显著提高了结果的准确性和可靠性。通过连续迭代改变校准子样本和验证子样本并求得平均比率,对这些结果进行了交叉验证。当橄榄品种不同时,结果是稳健的。因此,我们的研究结果凸显了在分类模型中结合农业气候信息和近红外光谱数据的潜在好处。
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Agro-Climatic Information to Enhance the Machine-Learning Classification of Olive Oils from Near-Infrared Spectra

The integrity of extra virgin olive oil (EVOO) quality markers can be compromised owing to deceptive marketing practices, such as misleading geographical origin claims or counterfeit certification labels, i.e., protected designations of origin (PDO). Therefore, it is imperative to introduce ecofriendly, rapid, and economical analytical methods for authenticating EVOO, such as near-infrared (NIR) spectroscopy. Unlike traditional techniques such as chromatography, NIR spectra contain unresolved bands; hence, chemometric tools such as principal component analysis (PCA) are essential for extracting valuable information from them. Herein, PCA was employed to reduce the high dimensionality of the NIR spectra. The PCA factors were then integrated as explanatory variables in machine-learning classification models, enabling the classification of EVOO based on its geographical origin or PDO. Furthermore, the classification models were improved by incorporating agro-climatic data, resulting in a noticeable improvement in the accuracy and reliability of the results. These results were cross-validated by changing the calibration and validation subsamples in successive iterations and averaging the obtained ratios. The results were robust when the olive varieties differed. Consequently, our findings highlight the potential benefits of incorporating agro-climatic information with NIR spectral data in classification models.

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