Skip to content
New issue

Have a question about this project? Sign up for a free GitHub account to open an issue and contact its maintainers and the community.

By clicking “Sign up for GitHub”, you agree to our terms of service and privacy statement. We’ll occasionally send you account related emails.

Already on GitHub? Sign in to your account

Fix a bug in setting up loss function for stochastic weight averaging (swa) #504

Open
wants to merge 3 commits into
base: develop
Choose a base branch
from

Conversation

Zhigang-dev
Copy link

mace/cli/run_train.py: In previous codes, there are two separate blocks for setting up loss function before start_swa and after start_swa, which is prone to making unexpected errors with inconsistent choices of loss function. I fixed this by replacing the second block with an enquiry of the former choice of loss function and just changing the relevant weights.

mace/tools/train.py: The RMSE_stress_per_atom outputs in the training epochs have been modified to be the values of RMSE_stress, which has actually been fixed in the a previous branch but unfortunately has not been fully updated in the current main branch.

The stress_per_atom problem is actually fixed in a previous branch, but unfortunately not been fully updated in the new main branch.
@ilyes319 ilyes319 changed the base branch from main to develop July 8, 2024 13:56
Sign up for free to join this conversation on GitHub. Already have an account? Sign in to comment
Labels
None yet
Projects
None yet
Development

Successfully merging this pull request may close these issues.

1 participant