Table 1 Performances (found the target structure or not in 10 generations) of ensemble, clustering, relaxation, and alternative ML model under LAsou method. The number in parentheses is the generation of finding the target structure.

From: Active learning to overcome exponential-wall problem for effective structure prediction of chemical-disordered materials

Systems

Ensemble-LBF/LRR

Without ensemble

Without clustering

Without relaxation

Ensemble-Neural Netwok (NN)

BaSc(OxF1-x)3 (x = 0.667)

Found (3)

Found (8)

Found (3)

Found (2)

Found (2)

Ca1-xMnxCO3 (x = 0.25)

Found (4)

Found (4)

Not Found (>10)

Found (2)

Found (2)

ε-FeCx (x = 0.5)

Found (2)

Found (2)

Found (2)

Found (2)

Found (2)

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