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@ValeSora ValeSora released this 07 Jul 13:38
· 40 commits to main since this release

[v1.0.0] - 2024-07-07

Added

  • The train() method was added to the 'core.model.DGDModel' class to train the DGD model.

  • The dgd_train executable was added to train the DGD model using the command line.

  • A new type of configuration file containing the options to train the DGD model is available. An example can be found in the newly created bulkDGD/ioutil/configs/training directory inside the package. This file, along with the other configuration files, is installed with the package.

  • A new example of a configuration file (model_untrained.yaml) containing the options to set up the DGD model is available in the 'bulkDGD/ioutil/configs/model' directory for when the model needs to be set up before training.

  • The documentation now includes a new tutorial on how to train the DGD model (Tutorial 3).

  • The load_loss() and save_loss() functions were introduced in the new bulkDGD.ioutil.lossio module to load and save CSV files containing the losses reported during the training procedure.

API-breaking changes

  • The configuration file used to find the representations for new samples now has a new format. Please take a look at the documentation for a detailed explanation of the new format. The format is not backward compatible.

Internal changes (for contributors)

  • The _get_data_loader() method has been introduced into the core.model.DGDModel class to create data loaders.

  • There is now only one internal method in the core.model.DGDModel class responsible for optimizing one or multiple representations for a set of samples, _optimize_rep(). The _get_representations_one_opt() and the _get_representations_two_opt() methods have been updated accordingly.

  • New sanity checks have been introduced when loading configurations (ioutil.configio module).

  • A new _get_final_dataframes_train method has been introduced to create the data frames produced by the new train() method in the core.model.DGDModel class.

Notes

  • The documentation was updated to reflect all changes made to the codebase.

  • Anders Lykkebo-Valløe is now a contributor.

  • Andreas Bjerregaard is now a contributor.