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Updated: Jan 8, 2026

Untargeted Liquid Chromatography-Mass Spectrometry-Based Metabolomics Analysis of Wheat Grain
Published on: March 13, 2020
Aplicación del método de selección de longitud de onda de optimización de colonia de hormigas K-means que combina
Xi-Yao Feng1, Zheng-Guang Chen1, Jin-Ming Liu1
1College of Information and Electrical Engineering, Heilongjiang Bayi Agricultural University, Daqing 163319, China.
Abstract:
To overcome the limitation of traditional Euclidean distance, which ignores the correlation of spectral variables, this paper proposes a wavelength selection strategy that integrates K-means and ant colony optimization (ACO) with similarity measurements (simKACO). The cosine similarity or correlation coefficient can constrain the clustering structure to highlight the wavelength region highly correlated with the target variable. Simultaneously, this metric guides the ant colony algorithm to heuristically search the key feature clusters to achieve efficient screening of wavelengths related to fat content in soybean near-infrared spectroscopy. The results indicated that the cosine similarity is the most suitable similarity measurement for simKACO. The R2 of the KcosACOcos-PLS model's test set can reach 0.8665, demonstrating superior predictive performance and generalization capability compared to PLS models established using other feature selection methods (UVE, IRF, GA, ACO). This research provides a reference method for detecting food quality.
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