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Rank2 tensor head #792
Rank2 tensor head #792
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Codecov ReportAttention: Patch coverage is
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This looks great! No stress, LGTM! 🚀
I ran comparisons between the original rank2 stress tensor code that @lbluque has and compared it to the Hydra equivalent model. The results initially were different, however we traced the issue down to a difference in using amp in the head. This PR moves all heads to by default be used without AMP. |
@@ -189,6 +189,10 @@ def no_weight_decay(self) -> list: | |||
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class HeadInterface(metaclass=ABCMeta): | |||
@property | |||
def use_amp(self): | |||
return False |
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should the default be to not use it?
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When i talked to @wood-b he mentioned that we should have it off by default, it shouldnt change much memory usage and from our experiments it only helps with performance metrics
This PR adds a rank 2 tensor head for equiformerV2.
It is based on the implementations in the stress_trainer branch:
https://github.com/FAIR-Chem/fairchem/blob/stress_trainer/ocpmodels/models/utils/outer_block.py
TODO