fix(array-api): fix xp.where errors #4624

njzjz · 2025-02-28T15:51:03Z

xp.where always requires a bool array as its first input, but previously, the array-api-strict package didn't require it.

Summary by CodeRabbit

Refactor
- Enhanced the internal filtering logic by standardizing type handling for exclusion conditions, ensuring more reliable and consistent operations across the system.

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

Copilot

PR Overview

This PR updates several modules to ensure compatibility with Array API 2024.12 by explicitly casting the exclude_mask to a boolean type. Key changes include applying xp.astype(exclude_mask, xp.bool) in multiple files to meet the new API requirements.

Reviewed Changes

File	Description
deepmd/dpmodel/descriptor/repformers.py	Cast exclude_mask to boolean for proper compatibility with Array API 2024.12
deepmd/dpmodel/fitting/general_fitting.py	Cast exclude_mask to boolean for proper compatibility with Array API 2024.12
deepmd/dpmodel/descriptor/se_t_tebd.py	Cast exclude_mask to boolean for proper compatibility with Array API 2024.12
deepmd/dpmodel/descriptor/dpa1.py	Cast exclude_mask to boolean for proper compatibility with Array API 2024.12

Copilot reviewed 4 out of 4 changed files in this pull request and generated no comments.

coderabbitai · 2025-02-28T15:53:54Z

📝 Walkthrough

Walkthrough

This pull request introduces explicit boolean type conversions for the exclude_mask variable in several call methods across different modules. In each affected method, a new line using xp.astype(exclude_mask, xp.bool) ensures that the mask is explicitly treated as a boolean array during subsequent operations. No changes to public API declarations were made.

Changes

Files	Change Summary
`deepmd/.../dpmodel/descriptor/{dpa1.py, repformers.py, se_t_tebd.py}`	In the `call` methods of the descriptor classes, added a line to convert `exclude_mask` to a boolean type using `xp.astype(exclude_mask, xp.bool)`.
`deepmd/.../dpmodel/fitting/general_fitting.py`	In the `_call_common` method, added a line converting `exclude_mask` to boolean after mask generation, affecting how the mask is later used in logical operations.

Possibly related PRs

fix: correct exclude_types in descriptors #3841: Similar modifications were made to ensure that exclude_mask is explicitly treated as a boolean in related descriptor modules.

Suggested reviewers

njzjz
wanghan-iapcm

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📥 Commits

Reviewing files that changed from the base of the PR and between 918d4de and 6c25b39.

📒 Files selected for processing (4)

deepmd/dpmodel/descriptor/dpa1.py (1 hunks)
deepmd/dpmodel/descriptor/repformers.py (1 hunks)
deepmd/dpmodel/descriptor/se_t_tebd.py (1 hunks)
deepmd/dpmodel/fitting/general_fitting.py (1 hunks)

⏰ Context from checks skipped due to timeout of 90000ms (19)

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🔇 Additional comments (4)

deepmd/dpmodel/descriptor/dpa1.py (1)

902-902: Approve type conversion for Array API compatibility

The explicit conversion of exclude_mask to boolean type ensures compatibility with Array API 2024.12 specification, which requires explicit type casting where the mask is used in logical operations.

deepmd/dpmodel/descriptor/repformers.py (1)

396-396: Approve explicit boolean type conversion

Adding explicit conversion to boolean type ensures compatibility with Array API 2024.12 specification, maintaining consistent behavior across array libraries when the mask is used in the subsequent where operation.

deepmd/dpmodel/descriptor/se_t_tebd.py (1)

685-685: Good compatibility fix for Array API 2024.12

The explicit conversion of exclude_mask to boolean type ensures compatibility with the Array API 2024.12 specification, which likely requires more explicit type handling.

deepmd/dpmodel/fitting/general_fitting.py (1)

491-491: Good compatibility fix for Array API 2024.12

This change mirrors the fix in other files, ensuring explicit boolean type conversion for the mask. This is a good practice for type safety and compatibility with newer Array API versions.

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codecov · 2025-02-28T16:33:38Z

Codecov Report

All modified and coverable lines are covered by tests ✅

Project coverage is 84.58%. Comparing base (918d4de) to head (6c25b39).
Report is 75 commits behind head on devel.

Additional details and impacted files

@@           Coverage Diff           @@
##            devel    #4624   +/-   ##
=======================================
  Coverage   84.58%   84.58%           
=======================================
  Files         680      680           
  Lines       64543    64548    +5     
  Branches     3540     3539    -1     
=======================================
+ Hits        54594    54600    +6     
  Misses       8807     8807           
+ Partials     1142     1141    -1

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`xp.where` always requires a bool array as its first input, but previously, the array-api-strict package didn't require it.  ## Summary by CodeRabbit - **Refactor** - Enhanced the internal filtering logic by standardizing type handling for exclusion conditions, ensuring more reliable and consistent operations across the system.  --------- Signed-off-by: Jinzhe Zeng <jinzhe.zeng@ustc.edu.cn> (cherry picked from commit 05ba1bf)

njzjz added 2 commits February 28, 2025 22:16

fix(array-api): fix compat with Array API 2024.12

95d35c0

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

exclude_mask bool

6c25b39

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

Copilot AI review requested due to automatic review settings February 28, 2025 15:51

github-actions bot added the Python label Feb 28, 2025

Copilot AI reviewed Feb 28, 2025

View reviewed changes

njzjz requested a review from wanghan-iapcm February 28, 2025 21:50

njzjz changed the title ~~fix(array-api): fix compat with Array API 2024.12~~ fix(array-api): fix xp.where errors Mar 1, 2025

wanghan-iapcm approved these changes Mar 1, 2025

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wanghan-iapcm added this pull request to the merge queue Mar 1, 2025

Merged via the queue into deepmodeling:devel with commit 05ba1bf Mar 1, 2025
60 checks passed

njzjz added this to the v3.0.2 milestone Mar 1, 2025

coderabbitai bot mentioned this pull request Mar 13, 2025

chore(array-api): implement scatter_sum #4654

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