fix(pt): fix `get_dim` for `DescrptDPA1Compat` #4007

iProzd · 2024-07-23T15:37:42Z

(Tomorrow) Test if it works for [BUG] Model converted from PT to TF backend could not run with TF #3997.

#3997 needs another fix in #4022 .

Summary by CodeRabbit

New Features
- Introduced a method to dynamically determine the output dimension of the descriptor, enhancing its functionality and interaction with other components.
- Improved tensor dimensionality handling in tests to ensure compatibility with the new output dimension method.

coderabbitai · 2024-07-23T15:37:49Z

Walkthrough

The recent changes introduce a new method, get_dim_out, to a class in the deepmd/tf/descriptor/se_atten.py file, enhancing its functionality by returning the output dimension of the descriptor. This method uses conditional logic to adjust the output based on class properties, improving integration with other components. Additionally, changes in the tensor reshaping within the build_tf_descriptor function ensure dimensional correctness, addressing potential issues in the processing pipeline.

Changes

Files	Change Summary
`deepmd/tf/descriptor/se_atten.py`	Added `get_dim_out` method to return output dimension, altering output handling and class interface.
`source/tests/consistent/descriptor/common.py`	Modified `build_tf_descriptor` to reshape tensor `t_des` based on `get_dim_out()`, ensuring correct dimensions.

Sequence Diagram(s)

sequenceDiagram
    participant Client
    participant Descriptor

    Client->>Descriptor: call get_dim_out()
    Descriptor->>Descriptor: check self.concat_output_tebd
    alt concat_output_tebd is True
        Descriptor->>Descriptor: return base_dim + self.tebd_dim
    else concat_output_tebd is False
        Descriptor->>Descriptor: return base_dim
    end
    Descriptor-->>Client: output dimension

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Commits

Files that changed from the base of the PR and between 05842da and 4552ba1.

Files selected for processing (2)

deepmd/tf/descriptor/se_atten.py (2 hunks)
source/tests/consistent/descriptor/common.py (1 hunks)

Files skipped from review as they are similar to previous changes (1)

deepmd/tf/descriptor/se_atten.py

Additional comments not posted (1)

source/tests/consistent/descriptor/common.py (1)

52-53: LGTM! Ensure the correctness of the get_dim_out method.

The added line ensures the tensor t_des has the correct dimensions based on the output of the get_dim_out method. The added comment clarifies the intent behind this modification.

However, verify that the get_dim_out method is correctly implemented and returns the expected output.

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njzjz

Could you cherry-pick 3ae035f which can fail the tests before this fix

codecov · 2024-07-23T16:37:07Z

Codecov Report

All modified and coverable lines are covered by tests ✅

Project coverage is 82.92%. Comparing base (5dd0062) to head (4552ba1).

Additional details and impacted files

@@           Coverage Diff           @@
##            devel    #4007   +/-   ##
=======================================
  Coverage   82.92%   82.92%           
=======================================
  Files         522      522           
  Lines       51010    51012    +2     
  Branches     3023     3023           
=======================================
+ Hits        42301    42303    +2     
  Misses       7767     7767           
  Partials      942      942

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

Signed-off-by: Jinzhe Zeng <jinzhe.zeng@rutgers.edu>

- [x] (Tomorrow) Test if it works for deepmodeling#3997. deepmodeling#3997 needs another fix in deepmodeling#4022 .  ## Summary by CodeRabbit - **New Features** - Introduced a method to dynamically determine the output dimension of the descriptor, enhancing its functionality and interaction with other components. - Improved tensor dimensionality handling in tests to ensure compatibility with the new output dimension method.  --------- Signed-off-by: Jinzhe Zeng <jinzhe.zeng@rutgers.edu> Co-authored-by: Jinzhe Zeng <jinzhe.zeng@rutgers.edu>

fix(pt): fix get_dim for DescrptDPA1Compat

05842da

github-actions bot added the Python label Jul 23, 2024

njzjz reviewed Jul 23, 2024

View reviewed changes

njzjz linked an issue Jul 23, 2024 that may be closed by this pull request

[BUG] Model converted from PT to TF backend could not run with TF #3997

Closed

iProzd and others added 4 commits July 24, 2024 15:03

Merge branch 'devel' into fix_get_dim

03a7138

test get_dim_out

f3f6b7e

Signed-off-by: Jinzhe Zeng <jinzhe.zeng@rutgers.edu>

Update se_atten.py

98c2b2b

Merge branch 'devel' into fix_get_dim

4552ba1

njzjz approved these changes Jul 25, 2024

View reviewed changes

iProzd added this pull request to the merge queue Jul 26, 2024

Merged via the queue into deepmodeling:devel with commit f7aa626 Jul 26, 2024
60 checks passed

iProzd deleted the fix_get_dim branch July 26, 2024 05:48

njzjz mentioned this pull request Jul 26, 2024

[BUG] Model converted from PT to TF backend could not run with TF #3997

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fix(pt): fix `get_dim` for `DescrptDPA1Compat` #4007

fix(pt): fix `get_dim` for `DescrptDPA1Compat` #4007

iProzd commented Jul 23, 2024 •

edited

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coderabbitai bot commented Jul 23, 2024 •

edited

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codecov bot commented Jul 23, 2024 •

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fix(pt): fix get_dim for DescrptDPA1Compat #4007

fix(pt): fix get_dim for DescrptDPA1Compat #4007

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iProzd commented Jul 23, 2024 • edited Loading

Summary by CodeRabbit

coderabbitai bot commented Jul 23, 2024 • edited Loading

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fix(pt): fix `get_dim` for `DescrptDPA1Compat` #4007

fix(pt): fix `get_dim` for `DescrptDPA1Compat` #4007

iProzd commented Jul 23, 2024 •

edited

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coderabbitai bot commented Jul 23, 2024 •

edited

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CodeRabbit Configuration File (`.coderabbit.yaml`)

codecov bot commented Jul 23, 2024 •

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