Exploring emerald global geochemical provenance through fingerprinting and machine learning methods

Abstract

Emeralds – the green colored variety of beryl – occur as gem-quality specimens in over fifty deposits globally. While digital traceability methods for emerald have limitations, sample-based approaches offer robust alternatives, particularly for determining the geographic origin of emerald. Three factors make emerald suitable for provenance studies and hence for developing models for origin determination. First, the diverse elemental chemistry of emerald at minor (<1 wt%) and trace levels (<1 to 100’s ppmw) exhibits unique inter-element fractionations between global deposits. Second, minimally destructive techniques, including laser ablation inductively coupled plasma mass spectrometry (LA-ICP-MS), enable measurement of these diagnostic elemental signatures. Third, when applied to extensive datasets, machine learning (ML) techniques enable the creation of predictive models and statistical discrimination with adequate characterization of the deposits. This study employs a carefully selected dataset comprising more than 1000 LA-ICP-MS analyses of gem-quality emeralds, enriched with new analyses. This dataset represents the largest available for global emerald deposits. We conducted unsupervised exploratory analysis using Principal Component Analysis (PCA). For machine learning-based classification, we employed Support Vector Machine Classification (SVM-C), achieving an initial accuracy rate of 79%. This was enhanced to 96.8% through the use of hierarchical SVM-C with PCA filters as our modeling approach. The ML models were trained using the concentrations of eight statistically significant elements (Li, V, Cr, Fe, Sc, Ga, Rb, Cs). By leveraging high-quality LA-ICP-MS data and ML techniques, accurate identification of the geographical origin of emerald becomes possible. These models are important for accurate provenance of emerald, and from a geochemical perspective, for understanding the formation environments of beryl-bearing pegmatites and shales.