Suk–Hwan Hong

Using PTR-ToF-MS headspace volatile fingerprints plus HPLC- and amino-acid-analysis-quantified non-volatile metabolites, this study built a two-stream Transformer that encodes each modality separately and fuses them for four-class grading of Baimudan white tea, reaching 95.8% accuracy (23/24) and a 0.958 macro-F1 on an independent prediction set drawn from 120 samples (30 per grade; 96 training, 24 prediction), with a single Special-grade sample misclassified as Grade I, mean cross-validated accuracy of 0.979±0.026 within the training set, and SHAP/attention analyses linking high grades to floral/sweet volatile ions plus higher amino acids and soluble sugars and lower grades to greener/woody volatile ions and kaempferol-related markers.

Using PTR-ToF-MS headspace volatile fingerprints plus HPLC- and amino-acid-analysis-quantified non-volatile metabolites, this study built a two-stream Transformer that encodes each modality separately and fuses them for four-class grading of Baimudan white tea, reaching 95.8% accuracy (23/24) and a 0.958 macro-F1 on an independent prediction set drawn from 120 samples (30 per grade; 96 training, 24 prediction), with a single Special-grade sample misclassified as Grade I, mean cross-validated accuracy of 0.979±0.026 within the training set, and SHAP/attention analyses linking high grades to floral/sweet volatile ions plus higher amino acids and soluble sugars and lower grades to greener/woody volatile ions and kaempferol-related markers.