Data-driven methods of machine learning (ML) have attracted a lot of interest in various fields of physics. Inverse design and optimisation of structured optical metamaterials such as photonic crystals, metasurfaces, and other nanostructured …
Several pool-based active learning (AL) algorithms were employed to model potential-energy surfaces (PESs) with a minimum number of electronic structure calculations. Theoretical and empirical results suggest that superior strategies can be obtained …