The growth and characterization of materials using empirical optimization typically requires a significant amount of expert time, experience, and resources. Several complementary characterization methods are routinely performed to determine the quality and properties of a grown sample. Machine learning (ML) can support the conventional approaches by using historical data to guide and provide speed and efficiency to the growth and characterization of materials. Specifically, ML can provide quantitative information from characterization data that is typically obtained from a different modality. In this study, the feasibility of projecting quantitative metrics from microscopy measurements, such as atomic force microscopy (AFM), using data obtained from spectroscopy measurements, like Raman spectroscopy is investigated. Generative models are also trained to generate the full and specific features of the Raman and photoluminescence spectra from each other and the AFM images of the thin‐film MoS 2 . The results are promising and have provided a foundational guide for the use of ML for the cross‐modal characterization of materials for their accelerated, efficient, and cost‐effective discovery.
Moses et al. (Tue,) studied this question.