Solution

The Solution modules of an ExaMol specification contain the components used for different strategies of optimizing a material. Descriptions of a solution use different ExaMol components (e.g., Scorer classes) and the same solution can be enacted with different Steering strategies.

Available Methods

ExaMol provides multiple solution methods, each described using a different class.

Class

Description

SolutionSpecification

The base strategy. Lacks any strategy for using new data to select the next computations.

SingleFidelityActiveLearning

Use predictions from machine learning models to select the next computation.