Table 2 Results on LiPS for models developed with 19000 training samples

From: Cartesian atomic moment machine learning interatomic potentials

 

DeepPot-SE52

SchNet10

DimeNet12

PaiNN13

SphereNet54

ForceNet70

GemNet-T53

NequIP17

CAMP

Forces

40.5

28.8

3.2

11.7

8.3

12.8

1.3

3.7

3.6

Diffusivity

 

0.38

0.30

0.40

0.40

 

0.24

0.34

0.18

Stability

4 (3)

50 (0)

48 (4)

50 (0)

50 (0)

26 (8)

50 (0)

50 (0)

50 (0)

  1. MAE of forces and MAE of Li+ diffusivity are reported in meV/Å and 10−5 cm2/s, respectively. The reference diffusivity is 1.35 × 10−5 cm2/s. Stability is measured by MD simulation time in picoseconds, with standard deviations obtained from five independent runs shown in parentheses. All results are obtained from ref. 47, except those for CAMP.
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