Hyperspectral imaging for chemicals identification: a human-inspired machine learning approach

Abstract

Abstract Data analysis has increasingly relied on machine learning in recent years. Since machines implement mathematical algorithms without knowing the physical nature of the problem, they may be accurate but lack the flexibility to move across different domains. This manuscript presents a machine-educating approach where a machine is equipped with a physical model, universal building blocks, and an unlabeled dataset from which it derives its decision criteria. Here, the concept of machine education is deployed to identify thin layers of organic materials using hyperspectral imaging (HSI). The measured spectra formed a nonlinear mixture of the unknown background materials and the target material spectra. The machine was educated to resolve this nonlinear mixing and identify the spectral signature of the target materials. The inputs for educating and testing the machine were a nonlinear mixing model, the spectra of the pure target materials (which are problem invariant), and the unlabeled HSI data. The educated machine is accurate, and its generalization capabilities outperform classical machines. When using the educated machine, the number of falsely identified samples is ~ 100 times lower than the classical machine. The probability for detection with the educated machine is 96% compared to 90% with the classical machine.