Use scientific notation for the loss #199
Closed
Conversation
This file contains bidirectional Unicode text that may be interpreted or compiled differently than what appears below. To review, open the file in an editor that reveals hidden Unicode characters.
Learn more about bidirectional Unicode characters
Co-authored-by: Philip Loche <[email protected]>
Co-authored-by: Philip Loche <[email protected]>
* Write train output to hydra's output directory * Added evaluation function * Add usage example for cli interface * update train cli * Disable MacOS tests * Add cli skeleton for exporter --------- Co-authored-by: frostedoyster <[email protected]>
* Add gradient calculator * Temporary losses * Forces and stresses * Support multiple model outputs in SOAP-BPNN
* username update * update in other places
--------- Co-authored-by: Luthaf <[email protected]>
Single letter spelling error.
* Make it clear upon logging that errors are always virial errors (and not stress) * Weight energies and virials by default, with an option to turn it off * Add (per atom) in logs if quantities are returned per-atom * Reduce code repetition
…n modules (#55) --------- Co-authored-by: frostedoyster <[email protected]> Co-authored-by: Filippo Bigi <[email protected]>
Co-authored-by: Filippo Bigi <[email protected]>
--------- Co-authored-by: Philip Loche <[email protected]>
Sign up for free
to join this conversation on GitHub.
Already have an account?
Sign in to comment
Add this suggestion to a batch that can be applied as a single commit.
This suggestion is invalid because no changes were made to the code.
Suggestions cannot be applied while the pull request is closed.
Suggestions cannot be applied while viewing a subset of changes.
Only one suggestion per line can be applied in a batch.
Add this suggestion to a batch that can be applied as a single commit.
Applying suggestions on deleted lines is not supported.
You must change the existing code in this line in order to create a valid suggestion.
Outdated suggestions cannot be applied.
This suggestion has been applied or marked resolved.
Suggestions cannot be applied from pending reviews.
Suggestions cannot be applied on multi-line comments.
Suggestions cannot be applied while the pull request is queued to merge.
Suggestion cannot be applied right now. Please check back later.
The loss numbers can be very large (or very small), depending on what loss one uses, the normalization, etc.
This PR prints them in scientific notation
📚 Documentation preview 📚: https://metatensor-models--199.org.readthedocs.build/en/199/