Input Pipeline rework #245
Merged
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
apax/data/initialization.py
Outdated
Comment on lines
38
to
60
| # def initialize_dataset( | ||
| # config, | ||
| # atoms_list, | ||
| # read_labels: bool = True, | ||
| # calc_stats: bool = True, | ||
| # ): | ||
| # if calc_stats and not read_labels: | ||
| # raise ValueError( | ||
| # "Cannot calculate scale/shift parameters without reading labels." | ||
| # ) | ||
| # inputs = process_inputs( | ||
| # atoms_list, | ||
| # r_max=config.model.r_max, | ||
| # disable_pbar=config.progress_bar.disable_nl_pbar, | ||
| # pos_unit=config.data.pos_unit, | ||
| # ) | ||
| # labels = atoms_to_labels( | ||
| # atoms_list, | ||
| # additional_properties_info=config.data.additional_properties_info, | ||
| # read_labels=read_labels, | ||
| # pos_unit=config.data.pos_unit, | ||
| # energy_unit=config.data.energy_unit, | ||
| # ) |
There was a problem hiding this comment.
Are these the placeholder for implementing arbitrary labels?
There was a problem hiding this comment.
This was part of the old data pipeline. I forgot to remove the comment.
| self.n_jit_steps = 1 | ||
| if pre_shuffle: | ||
| shuffle(atoms) | ||
| self.sample_atoms = atoms[0] |
There was a problem hiding this comment.
I think in general we should be more consistent with atom, atoms and list of atoms. atoms should be one structure. Should we make an issue?
apax/data/input_pipeline.py
Outdated
|
|
||
| def enqueue(self, num_elements): | ||
| for _ in range(num_elements): | ||
| data = self.prepare_item(self.count) |
There was a problem hiding this comment.
Maybe prepare_data? In my opinion item is somewhat misleading.
apax/train/run.py
Outdated
| config.data.shift_options, | ||
| config.data.scale_options, | ||
| ) | ||
| # TODO IMPL DELETE FILES |
There was a problem hiding this comment.
Which files should be deleted here?
There was a problem hiding this comment.
reminder comment from the .cache based implementation.
Tetracarbonylnickel
approved these changes
Mar 26, 2024
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.
I have reworked the data pipeline. The NL is no longer precomputed for the entire dataset and stored in memory.
This used up a log of RAM and the conversion of unpadded NLs to tf ragged tensors was terribly slow.
This rework drastically speeds up start up times and reduces memory consumption without compromising performance.