Table 3 Normalized confusion matrix with true stable (TS, in %), false unstable (FU, in %), true unstable (TU, in %), false stable (FS, in %) of predicted dynamical stability for models using PBE data as reference

From: Universal machine learning interatomic potentials are ready for phonons

Model

TS

FU

TU

FS

M3GNet

87

13

73

27

CHGNet

77

23

73

27

MACE-MP-0

95

5

73

27

SevenNet-0

81

19

80

20

MatterSim-v1

95

5

75

25

ORB

15

85

92

8

eqV2-M

7

93

94

6

PBESol

97

3

76

24

  1. For information, the number of stable compounds in the PBE is 8189 and unstable is 1769.
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