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

Iteratively reweighted least squares #16

Open
casv2 opened this issue Mar 12, 2022 · 1 comment
Open

Iteratively reweighted least squares #16

casv2 opened this issue Mar 12, 2022 · 1 comment

Comments

@casv2
Copy link
Collaborator

casv2 commented Mar 12, 2022

I think we have two usages for Iteratively reweighted least squares (IRLS) in mind, the first is to optimise any p-norm which @cortner will know a lot about. I think it'd be quite interesting to use IRLS to try and "even out" the relative error on the force components in the training database. After optimising with IRLS we'd have say 10% relative error on both large liquid and small vibrational forces hopefully resulting in both a good liquid rdf and phonon spectrum, without having to specify the weights.

@cortner
Copy link
Member

cortner commented Mar 12, 2022

+100

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

No branches or pull requests

2 participants