How to optimize input parameters to achieve better accuracy for DPA2 than DP #4651
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JiangXiaoMingSan
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The train.json file you post does not use DPA-2. |
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I trained DPA2 and DP potential functions using the same dataset, with accuracies of:
DPA2_Energy:7.1meV/atoms,Force:181meV/Å;DP_Energy:2.1meV/atoms,Force:117meV/Å
The two used identical datasets and similar hyperparameters, which was somewhat unexpected as I believe DPA-2's accuracy should be higher than DP's. Accuracy of DPA-2 during finetune stage:0.175meV/atoms,Force:43.7meV/Å.
The parameters I am currently using have undergone 2 iterations during the distillation stage, with an accuracy of iter000000:Energy:5.4meV/atoms,Force:200meV/Å,The accuracy improvement brought by iteration is very small, and the accuracy of energy even decreases,Can you give me some parameter suggestions for distillation to prevent such a significant decrease in accuracy.
Thank you for your attention to this issue, it is very important to me.
train.json
distill_input.json
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