fig4

Virtual sample generation in machine learning assisted materials design and discovery

Figure 4. Experimental bonding strength vs. predicted bonding strength of LOOCV with corresponding R and RMSE based on (A) original data and (B) after data expansion by a GMM. Reproduced with permission from ref[42]. Copyright 2022, American Chemical Society. GMM: Gaussian mixture model. LOOCV: leaving-one-out cross-validation.

Journal of Materials Informatics
ISSN 2770-372X (Online)
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