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I am trying to fine-tune a MH-1 foundation model with the omat_pbe head on the GAP-Carbon-20 dataset. In order to extract the necessary E0 value, I started a fresh MACE model and used the value there. The problem is that when I run the fine-tuning using replay the inital errors are very high - far above the 0.4 eV/atom mentioned in the documentation as a warning signal that E0 might be wrong. This is not the only case where this has happened. I have other datasets that I created myself with CP2K and where I calculated E0 directly using DFT. The problem was exactly the same. This is the way I call the training:
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I am trying to fine-tune a MH-1 foundation model with the omat_pbe head on the GAP-Carbon-20 dataset. In order to extract the necessary E0 value, I started a fresh MACE model and used the value there. The problem is that when I run the fine-tuning using replay the inital errors are very high - far above the 0.4 eV/atom mentioned in the documentation as a warning signal that E0 might be wrong. This is not the only case where this has happened. I have other datasets that I created myself with CP2K and where I calculated E0 directly using DFT. The problem was exactly the same. This is the way I call the training:
Is there anything that I might have missed? Thank you!
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