Figure 4
From: Agents for sequential learning using multiple-fidelity data
Campaigns performed for single-fidelity acquisition and multi-fidelity acquisition. In campaign A, we compare the results of including all or no DFT data in the seed data set and only acquire experimental data. This campaign effectively compares an “a priori” agents to a single-fidelity agents. In campaign B, the multi-fidelity agents are seeded with first 500 experimentally discovered compositions (based on ICSD58 timeline of their first publication59) and their corresponding DFT data. Both DFT and experimental data are acquired here. The single-fidelity agents are exclusively seeded with and acquire experimental data.
