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tf: improve finetune params to keep from user input #3750

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@iProzd iProzd commented May 6, 2024

Summary by CodeRabbit

  • Refactor
    • Improved clarity in model parameter replacement functionality by removing outdated comments and unnecessary logic.

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coderabbitai bot commented May 6, 2024

Walkthrough

The update involves refining the function replace_model_params_with_pretrained_model within the finetune.py module. A previously commented-out TODO note and its related but unused logic, which concerned the retention of certain non-structural parameters, have been removed. This change simplifies the function by eliminating unnecessary comments and inactive code.

Changes

File Path Change Summary
.../tf/utils/finetune.py Removed a commented-out TODO and related unused logic.

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@iProzd iProzd marked this pull request as draft May 6, 2024 10:11
@github-actions github-actions bot added the Python label May 6, 2024
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iProzd commented May 6, 2024

I've checked for #3551 , there are several params that need discussed whether to keep from new input script (now we only keep trainable params and replace others with those in the pre-trained model):

  • exclude_types from descriptor
  • atom_ener from EnerFitting

Do we need to keep these params from user-defined fine-tuning input script? @njzjz @wanghan-iapcm If not, there's nothing to change for this issue.

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codecov bot commented May 6, 2024

Codecov Report

All modified and coverable lines are covered by tests ✅

Project coverage is 79.28%. Comparing base (4b319a0) to head (69d0973).

Additional details and impacted files
@@            Coverage Diff             @@
##            devel    #3750      +/-   ##
==========================================
- Coverage   82.23%   79.28%   -2.95%     
==========================================
  Files         513      513              
  Lines       47750    47749       -1     
  Branches     2980     2979       -1     
==========================================
- Hits        39265    37856    -1409     
- Misses       7574     8996    +1422     
+ Partials      911      897      -14     

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njzjz commented May 6, 2024

Do we need to keep these params from user-defined fine-tuning input script?

Why not provide an option to users?

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keep some params that are irrelevant to model structures (need to discuss)
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