Quantitative analysis of safflower seed oil adulteration based on near-infrared spectroscopy combined with improved sparrow algorithm optimization model ISSA-ELM

IF 2.6 3区 化学 Q2 CHEMISTRY, ANALYTICAL Analytical Methods Pub Date : 2025-04-01 DOI:10.1039/D4AY02252A
Xu Su-an, Zhu Yan-dong, Qian Lu-shuai, Hong Kai-xing and Fu Yaqiong
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Abstract

Safflower seed oil is expensive, and there are issues in the market such as the adulteration with cheaper edible oils, leading to inferior products. Near-infrared spectroscopy (NIR) is a non-destructive analytical method with the advantages of being fast, non-destructive, and pollution-free. However, in the case of low-concentration adulterated oil, the main components and their contents are nearly identical to those in pure oil, and the spectral feature peaks of the samples are similar, making it difficult for conventional analysis methods to select effective characteristic variables. Extreme Learning Machine (ELM), as a single-hidden-layer feedforward neural network model, possesses strong feature extraction and model representation capabilities. However, its random initialization of weights and biases leads to the issue of blind training. The Sparrow Search Algorithm (SSA) can effectively optimize the random initialization problem in ELM, but it is prone to issues such as being trapped in local optima and slower convergence. This study proposes a novel quantitative adulteration analysis model for safflower seed oil (ISSA-ELM), which combines ELM with an improved Sparrow Search Algorithm (ISSA). In the experiment, safflower seed oil was used as the base oil, and peanut oil, corn oil, and soybean oil were gradually added to prepare adulterated oil samples. To ensure the resolution of experimental samples and accurately capture spectral variations in the low-concentration range, a concentration gradient of 2% was used for adulteration levels between 2% and 70%, while a 5% gradient was applied for concentrations exceeding 70%. Each type of adulterant had 42 gradient concentrations, with 6 samples per concentration, totaling 252 samples. Original spectral data were collected, and the samples were randomly divided into a training set (70%) and a testing set (30%). Different preprocessing methods and feature extraction techniques were combined to discuss the results of three adulteration analysis models: PLS, SSA-ELM and ISSA-ELM. The final experimental results show that compared to the safflower seed oil adulteration prediction model based on SSA-ELM (R2 = 0.8938, RMSE = 0.0835, RPD = 2.9018)and PLS(RP2 = 0.9015, RMSEP = 0.0876, RPD = 3.0128), the model based on ISSA-ELM (RP2 = 0.9934, RMSEP = 0.0207, RPD = 10.1457) offers higher prediction accuracy and stability, and the error detection limit of ISSA-ELM can reach 2%. The ISSA optimized the SSA's tendency to reduce population diversity, slow convergence, and get stuck in local optima in the later stages of iteration, greatly enhancing the global optimization ability of the algorithm. Therefore, ISSA-ELM can effectively identify adulterated safflower seed oil, providing a technological pathway and basis for research into the adulteration of safflower seed oil.

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基于近红外光谱结合改进麻雀算法优化模型ISSA-ELM的红花籽油掺假定量分析
红花籽油价格昂贵,市场上存在掺入廉价食用油等问题,导致产品劣质。近红外光谱法具有快速、无损、无污染等优点,是一种无损分析方法。然而,在低浓度掺假油的情况下,其主要成分及其含量与纯油几乎相同,且样品的光谱特征峰相似,使得常规分析方法难以选择有效的特征变量。极限学习机(Extreme Learning Machine, ELM)作为一种单隐层前馈神经网络模型,具有很强的特征提取和模型表示能力。然而,它的随机初始化权值和偏差导致了盲目训练的问题。麻雀搜索算法(SSA)可以有效地优化ELM中的随机初始化问题,但容易陷入局部最优和收敛速度较慢等问题。本文提出了一种新的红花籽油掺假定量分析模型(ISSA-ELM),该模型将ELM与改进的麻雀搜索算法(ISSA)相结合。实验中以红花籽油为基础油,逐步加入花生油、玉米油、大豆油制备掺假油样。为了确保实验样品的分辨率并准确捕获低浓度范围内的光谱变化,掺假水平在2%至70%之间时采用2%的浓度梯度,掺假浓度超过70%时采用5%的浓度梯度。每种掺假物有42个梯度浓度,每个浓度6个样品,共252个样品。采集原始光谱数据,将样本随机分为训练集(70%)和测试集(30%)。结合不同的预处理方法和特征提取技术,讨论了PLS、SSA-ELM和ISSA-ELM三种掺假分析模型的结果。最终实验结果表明,与基于SSA-ELM的红花籽油掺假预测模型(R2 = 0.8938, RMSE = 0.0835, RPD = 2.9018)和PLS(RP2 = 0.9015, RMSEP = 0.0876, RPD = 3.0128)相比,基于ISSA-ELM的模型(RP2 = 0.9934, RMSEP = 0.0207, RPD = 10.1457)具有更高的预测精度和稳定性,ISSA-ELM的检出限可达2%。ISSA优化了SSA在迭代后期容易降低种群多样性、收敛速度慢、陷入局部最优的缺点,大大增强了算法的全局寻优能力。因此,ISSA-ELM可以有效地鉴别出掺假的红花籽油,为研究红花籽油的掺假提供了技术途径和依据。
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来源期刊
Analytical Methods
Analytical Methods CHEMISTRY, ANALYTICAL-FOOD SCIENCE & TECHNOLOGY
CiteScore
5.10
自引率
3.20%
发文量
569
审稿时长
1.8 months
期刊介绍: Early applied demonstrations of new analytical methods with clear societal impact
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