Table 3 Generation performance and property optimization performance

From: An invertible, invariant crystal representation for inverse design of solid-state materials using generative deep learning

Method

Generation performance (%)

Property optimization performance (%)

 

Structural validity

Compositional validity

SR5

SR10

SR15

FTCP20,23

1.55

48.37

2.00

4.00

5.00

CDVAE23

100.0

86.70

78.0

86.0

90.0

SLICES

99.72

84.43

97.4

99.2

99.6

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