fix(pt): add `finetune_head` to argcheck #3967

iProzd · 2024-07-11T03:39:36Z

Add finetune_head to argcheck.

Summary by CodeRabbit

New Features
- Introduced a new finetune_head argument for specifying the fitting net during multi-task fine-tuning, with optional random initialization if not set.
Bug Fixes
- Improved handling for specific conditions by automatically removing the "finetune_head" key from the configuration.
Tests
- Updated multitask training and finetuning tests to include new configuration manipulations.
- Removed the _comment field from test configuration files to ensure cleaner test setups.

coderabbitai · 2024-07-11T03:39:42Z

Walkthrough

Recent changes enhance the fine-tuning mechanism within the deepmd package, particularly focusing on the get_finetune_rules and model_args functions. This includes handling specific configurations, adjusting test methodologies, and introducing the finetune_head argument to better control fine-tuning processes. These updates aim to refine the argument checking process, improve configuration management for tests, and provide more flexibility in multi-task fine-tuning.

Changes

Files/Modules	Change Summary
`deepmd/pt/utils/finetune.py`	Modified `get_finetune_rules` to remove "finetune_head" key from `model_config` under specific conditions.
`source/tests/pt/model/water/multitask.json`	Removed the `_comment` field under `loss_dict` for `"model_1"`.
`source/tests/pt/test_multitask.py`	Imported `normalize` and `update_deepmd_input` functions and altered configurations within test methods.
`deepmd/utils/argcheck.py`	Added `finetune_head` argument to `model_args` for multi-task fine-tuning configuration.

Sequence Diagram(s)

sequenceDiagram
    participant User
    participant TestMultitask
    participant FineTuneUtils
    participant ArgCheckUtils

    User->>TestMultitask: Initiate multi-task fine-tuning
    TestMultitask->>ArgCheckUtils: Normalize and update config
    ArgCheckUtils-->>TestMultitask: Return updated config
    TestMultitask->>FineTuneUtils: Call get_finetune_rules with config
    FineTuneUtils-->>TestMultitask: Return fine-tune rules
    TestMultitask->>User: Provide fine-tune rules and results

    Note right of FineTuneUtils: Fine-tune head key handling

Recent review details

Configuration used: CodeRabbit UI
Review profile: CHILL

Commits

Files that changed from the base of the PR and between d562b44 and f6026b7.

Files selected for processing (1)

deepmd/utils/argcheck.py (2 hunks)

Additional comments not posted (2)

deepmd/utils/argcheck.py (2)
1636-1641: Ensure consistency in the finetune_head argument documentation.

The documentation for the finetune_head argument is clear and consistent with the rest of the file.

Verify that the documentation for finetune_head is consistent across the codebase.

Verification successful

The documentation for the finetune_head argument is consistent across the codebase.

The finetune_head argument is thoroughly documented in deepmd/pt/utils/finetune.py and deepmd/utils/argcheck.py.

The behavior and use cases of the argument are clearly explained.
Scripts executed

The following scripts were executed for the analysis:

Script:
#!/bin/bash
# Description: Verify the documentation for `finetune_head` is consistent across the codebase.

# Test: Search for the `finetune_head` documentation. Expect: Consistent documentation.
rg --type python -A 5 $'finetune_head'
Length of output: 68

Script:
#!/bin/bash
# Description: Verify the documentation for `finetune_head` is consistent across the codebase.

# Test: Search for the `finetune_head` documentation in all Python files. Expect: Consistent documentation.
rg --glob '*.py' -A 5 'finetune_head'
Length of output: 7737
1536-1539: Approve the addition of finetune_head argument.

The addition of the finetune_head argument is well-documented and logically integrated.

Verify that all uses of model_args correctly handle the new finetune_head argument.

Verification successful

Verified the usage of model_args function with the new finetune_head argument.

The finetune_head argument is documented and integrated correctly within the model_args function. It is used across multiple files, including test files, without any issues.

The argument is correctly added and documented in deepmd/utils/argcheck.py.

The usages in source/tests/consistent/model/test_frozen.py and source/tests/consistent/model/test_ener.py do not show any misuse or issues with the finetune_head argument.
Scripts executed

The following scripts were executed for the analysis:

Script:
#!/bin/bash
# Description: Verify the usage of `model_args` to ensure it correctly handles the new `finetune_head` argument.

# Test: Search for the function usage. Expect: Correct handling of the `finetune_head` argument.
rg --type python -A 5 $'model_args'
Length of output: 65

Script:
#!/bin/bash
# Description: Verify the usage of `model_args` to ensure it correctly handles the new `finetune_head` argument.

# Test: Search for the function usage. Expect: Correct handling of the `finetune_head` argument.
rg --lang py -A 5 $'model_args'
Length of output: 439

Script:
#!/bin/bash
# Description: Verify the usage of `model_args` to ensure it correctly handles the new `finetune_head` argument.

# Test: Search for the function usage. Expect: Correct handling of the `finetune_head` argument.
rg --type py -A 5 $'model_args'
Length of output: 7633

Script:
#!/bin/bash
# Description: Extract relevant code around each instance of `model_args` to verify the handling of the `finetune_head` argument.

# Extract 10 lines of context around each instance of `model_args`.
rg --type py -C 10 $'model_args'
Length of output: 18647

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codecov · 2024-07-11T04:04:06Z

Codecov Report

All modified and coverable lines are covered by tests ✅

Project coverage is 82.83%. Comparing base (bd02ccc) to head (f6026b7).
Report is 108 commits behind head on devel.

Additional details and impacted files

@@           Coverage Diff           @@
##            devel    #3967   +/-   ##
=======================================
  Coverage   82.82%   82.83%           
=======================================
  Files         520      522    +2     
  Lines       50869    50867    -2     
  Branches     3020     3015    -5     
=======================================
+ Hits        42134    42135    +1     
+ Misses       7798     7797    -1     
+ Partials      937      935    -2

☔ View full report in Codecov by Sentry.
📢 Have feedback on the report? Share it here.

njzjz · 2024-07-11T04:23:23Z

Why isn't this option in the argcheck?

iProzd · 2024-07-11T08:52:09Z

Why isn't this option in the argcheck?

This option works only to get finetune rules before argcheck, see https://github.com/deepmodeling/deepmd-kit/blob/devel/deepmd/pt/entrypoints/main.py#L253 . After this, the option is useless.

We can deleted it from the model definition or keep a placeholder in argcheck, which one do we prefer? @njzjz @wanghan-iapcm

njzjz · 2024-07-11T20:15:12Z

We use argcheck to generate the documentation, so all user-defined arguments should be in the argcheck, i.e. in the automatically generated documentation.

Add `finetune_head` to argcheck.  ## Summary by CodeRabbit - **New Features** - Introduced a new `finetune_head` argument for specifying the fitting net during multi-task fine-tuning, with optional random initialization if not set. - **Bug Fixes** - Improved handling for specific conditions by automatically removing the "finetune_head" key from the configuration. - **Tests** - Updated multitask training and finetuning tests to include new configuration manipulations. - Removed the `_comment` field from test configuration files to ensure cleaner test setups.

fix(pt): pop finetune_head for argcheck

725f1fe

Merge branch 'devel' into fix_finetune_head

d562b44

github-actions bot added the Python label Jul 11, 2024

add finetune_head to argcheck

f6026b7

iProzd changed the title ~~fix(pt): pop finetune_head before argcheck~~ fix(pt): add finetune_head to argcheck Jul 12, 2024

iProzd requested a review from njzjz July 12, 2024 08:37

njzjz approved these changes Jul 12, 2024

View reviewed changes

iProzd added this pull request to the merge queue Jul 12, 2024

github-merge-queue bot removed this pull request from the merge queue due to failed status checks Jul 12, 2024

iProzd added this pull request to the merge queue Jul 12, 2024

Merged via the queue into deepmodeling:devel with commit 37bee25 Jul 12, 2024
60 checks passed

iProzd deleted the fix_finetune_head branch July 12, 2024 11:41

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fix(pt): add `finetune_head` to argcheck #3967

fix(pt): add `finetune_head` to argcheck #3967

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njzjz commented Jul 11, 2024

fix(pt): add finetune_head to argcheck #3967

fix(pt): add finetune_head to argcheck #3967

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fix(pt): add `finetune_head` to argcheck #3967

fix(pt): add `finetune_head` to argcheck #3967

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