Ecosyste.ms: Timeline

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metatensor/metatrain

frostedoyster pushed 1 commit to main metatensor/metatrain
  • Print learning rate decreases (#365) 6b5fb29

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frostedoyster closed an issue on metatensor/metatrain
Print learning rate decreases
We should log whenever the learning rate is decreased in our models to better diagnose potential problems during training runs from users.
frostedoyster closed a pull request on metatensor/metatrain
Print learning rate decreases
Fixes #327 # Contributor (creator of pull-request) checklist - [ ] Tests updated (for new features and bugfixes)? - [x] Issue referenced (for PRs that solve an issue)? <!-- readthedoc...
frostedoyster deleted a branch metatensor/metatrain

mae-logging

frostedoyster pushed 1 commit to main metatensor/metatrain

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frostedoyster closed a pull request on metatensor/metatrain
Add MAE logging
Implements logging of MAEs. This is optional during training, and it defaults to False due to the already large amount of information being printed (training/validation loss/energy/force/stress etc...
abmazitov created a review on a pull request on metatensor/metatrain

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frostedoyster opened a pull request on metatensor/metatrain
Print learning rate decreases
Fixes #327 # Contributor (creator of pull-request) checklist - [ ] Tests updated (for new features and bugfixes)? - [x] Issue referenced (for PRs that solve an issue)?
frostedoyster created a branch on metatensor/metatrain

print-lr - Training and evaluating machine learning models for atomistic systems.

frostedoyster opened an issue on metatensor/metatrain
A design for more generic targets
In order to extend the functionality of metatrain, it would be ideal to have infrastructure supporting more generic targets. In general, a target is defined by its metadata: - keys: for example...
frostedoyster pushed 5 commits to nanopet metatensor/metatrain
  • Automatic continuation f79a36d
  • Call processing function before new `outputs/` directory is created 3c136bf
  • Make it distributed-proof c33bcf2
  • Merge branch 'auto-continue' into nanopet 4b2a877
  • Only save checkpoints from the main process 129c9b9

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frostedoyster pushed 1 commit to auto-continue metatensor/metatrain
  • Make it distributed-proof 427d3d8

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frostedoyster pushed 1 commit to auto-continue metatensor/metatrain
  • Make it distributed-proof c33bcf2

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frostedoyster pushed 1 commit to auto-continue metatensor/metatrain
  • Call processing function before new `outputs/` directory is created 3c136bf

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frostedoyster pushed 1 commit to auto-continue metatensor/metatrain

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frostedoyster opened a draft pull request on metatensor/metatrain
Automatic continuation
Implements "automatic" continuation as described in #362. Questions: - is the naming good? - is the code good? - how and where should this be documented? # Contributor (creator of pull-r...
frostedoyster created a branch on metatensor/metatrain

auto-continue - Training and evaluating machine learning models for atomistic systems.

frostedoyster opened an issue on metatensor/metatrain
"Automatic" continuation
Many packages implement automatic continuation, meaning that training is continued automatically if a checkpoint is detected. While I don't think this is a good default, it does allow for easy job ...
abmazitov created a review on a pull request on metatensor/metatrain

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abmazitov created a comment on a pull request on metatensor/metatrain
Thank you @frostedoyster! This looks good to me and I think we can merge without hesitation

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frostedoyster pushed 3 commits to llpr metatensor/metatrain
  • Speed up composition model (#358) b0ff8a6
  • Warm up before calculating timings (#359) d99721a
  • Merge branch 'main' into llpr 6c82f6e

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frostedoyster pushed 1 commit to nanopet metatensor/metatrain
  • Merge branch 'mae-logging' into nanopet 63bcfac

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frostedoyster pushed 1 commit to mae-logging metatensor/metatrain

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frostedoyster opened a pull request on metatensor/metatrain
Add MAE logging
Implements logging of MAEs. This is optional during training, and it defaults to False due to the already large amount of information being printed (training/validation loss/energy/force/stress etc...
frostedoyster created a branch on metatensor/metatrain

mae-logging - Training and evaluating machine learning models for atomistic systems.

ruoyuwang1995nya starred metatensor/metatrain
frostedoyster closed an issue on metatensor/metatrain
Print evaluation time per structure
It would be useful to print the evaluation time in `mtt eval`
frostedoyster closed an issue on metatensor/metatrain
Evaluation timings don't take into account torchscript warm-up
This usually overestimates the evaluation timing for the training set (the first to be evaluated) and raises its standard deviation
frostedoyster pushed 1 commit to nanopet metatensor/metatrain

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frostedoyster opened an issue on metatensor/metatrain
Error in multi-GPU training with PET
Running multi-GPU training with PET results in the following error: ``` File "/scratch/bigi/virtualenv-k/lib/python3.11/site-packages/metatrain/cli/train.py", line 364, in train_model rais...
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