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Interatomic Potential Modeling on Ta-V-Cr-W Deformed Structures (Overall) 1.0
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1.91
Energy RMSE (meV/atom)
GM-NN
-2.0696
24.7927
51.655
78.5173
May 23, 2024
Energy RMSE (meV/atom)
Inference Time (µs/atom)
Memory Consumption (GB)
Updated 4d ago
Evaluation Results
Method
Method
Links
Energy RMSE (meV/atom)
Inference Time (µs/atom)
Memory Consumption (GB)
GM-NN
Batch size=50
2024.05
1.91
7.25
-
ICTPsym
L=2, Batch size=50
2024.05
2.65
51.78
36.78
MTP
Batch size=50
2024.05
2.67
17.57
-
ICTPsym
V=2, Batch size=50
2024.05
2.85
14.97
13.15
ICTPsym
L=1, Batch size=50
2024.05
3.01
25.09
16.93
ICTPsym
L=0, Batch size=50
2024.05
3.1
14.59
8.48
MACE
L=1, Batch size=50
2024.05
4.01
15.37
13.87
MACE
L=2, Batch size=50
2024.05
4.03
29.48
28.82
MACE
L=0, Batch size=50
2024.05
4.29
4.43
5.91
EAM
Batch size=50
2024.05
101.4
0.5
-
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