Deep learning techniques have been increasingly applied to the natural sciences, e.g., for property prediction and optimization or material discovery. A fundamental ingredient of such approaches is ...

Machine learning methods are increasingly deployed to construct surrogate models for complex physical systems at a reduced computational cost. However, the predictive capability of these surrogates ...

Surrogate means a stand-in, a substitute. Surrogate keys take the place of a natural key as the primary key within a database table. Ideally, surrogate keys stand in the shadows and are used in ...