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fix(pt/dp): make dpa2 convertable to .dp format #4324

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merged 2 commits into from
Nov 8, 2024

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@iProzd iProzd commented Nov 7, 2024

Fix #4295. BTW, I found that there seems no universal uts for convert-backend command.

Summary by CodeRabbit

  • New Features

    • Updated RepformerLayer class to version 2, enhancing serialization and deserialization processes.
    • Introduced a new structure for residual variables within the serialized data, improving organization and clarity.
  • Bug Fixes

    • Adjusted version compatibility checks in the deserialize method to align with the new versioning scheme.

@iProzd iProzd requested review from njzjz and wanghan-iapcm November 7, 2024 15:10
@iProzd iProzd linked an issue Nov 7, 2024 that may be closed by this pull request
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coderabbitai bot commented Nov 7, 2024

📝 Walkthrough
📝 Walkthrough

Walkthrough

The changes involve updating the RepformerLayer class in two files to version 2, enhancing the serialization and deserialization methods. The serialize method now organizes residual variables within a @variables dictionary, while the deserialize method has been modified to accommodate this new structure. These updates ensure compatibility with the new versioning scheme and improve the organization of serialized data. Minor adjustments to comments and formatting were also made for clarity, but the core functionality of the class remains unchanged.

Changes

File Path Change Summary
deepmd/dpmodel/descriptor/repformers.py Updated RepformerLayer to version 2; modified serialize to use @variables for residuals; updated deserialize to extract residuals from @variables.
deepmd/pt/model/descriptor/repformer_layer.py Updated RepformerLayer to version 2; modified serialize to nest residuals under @variables; updated deserialize to read from @variables.

Assessment against linked issues

Objective Addressed Explanation
Ensure serialization aligns with the @variables rule (4295)
Address potential errors when converting models to .dp format (4295) Changes do not include error handling for non-@variables arrays.

📜 Recent review details

Configuration used: CodeRabbit UI
Review profile: CHILL

📥 Commits

Reviewing files that changed from the base of the PR and between 0e822e1 and f3da79e.

📒 Files selected for processing (2)
  • deepmd/dpmodel/descriptor/repformers.py (4 hunks)
  • deepmd/pt/model/descriptor/repformer_layer.py (4 hunks)
🚧 Files skipped from review as they are similar to previous changes (1)
  • deepmd/pt/model/descriptor/repformer_layer.py
🔇 Additional comments (3)
deepmd/dpmodel/descriptor/repformers.py (3)

1795-1795: Version number updated appropriately

Updating the @version to 2 reflects the changes in the serialization structure and ensures consistency in versioning.


1920-1923: Deserialization logic correctly handles new and legacy data

The updated deserialization method accommodates residual variables from both the new @variables structure and the previous data format. This ensures compatibility with models serialized using earlier versions.


1880-1884: 🛠️ Refactor suggestion

Ensure backward compatibility with previous serialization versions

The inclusion of residual variables within the @variables dictionary enhances data organization. However, please verify that models serialized with version 1 can still be deserialized correctly with this updated structure.

Consider adding unit tests to validate deserialization from both version 1 and version 2 serialized data to ensure backward compatibility.


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Actionable comments posted: 1

📜 Review details

Configuration used: CodeRabbit UI
Review profile: CHILL

📥 Commits

Reviewing files that changed from the base of the PR and between 3236db5 and 0e822e1.

📒 Files selected for processing (2)
  • deepmd/dpmodel/descriptor/repformers.py (4 hunks)
  • deepmd/pt/model/descriptor/repformer_layer.py (4 hunks)
🔇 Additional comments (8)
deepmd/pt/model/descriptor/repformer_layer.py (5)

1298-1298: LGTM: Version bump is appropriate.

The version increment from 1 to 2 correctly reflects the structural changes in the serialization format.


1383-1387: LGTM: Well-structured solution for array serialization.

The introduction of the @variables dictionary properly organizes the NumPy arrays (residual parameters) in the serialized data, directly addressing the issue mentioned in #4295. This structure makes it clear which fields contain array data that requires special handling during serialization.


1402-1402: LGTM: Version compatibility check is properly updated.

The version compatibility check correctly validates against version 2 while maintaining backward compatibility with version 1.


1423-1426: LGTM: Robust deserialization with backward compatibility.

The deserialization logic elegantly handles both the new @variables structure and the old format, ensuring backward compatibility. The fallback mechanism using pop with default values is a clean way to handle both cases.


Line range hint 1298-1426: Verify compatibility with dependent code.

Let's verify that all usages of RepformerLayer are compatible with the new serialization format.

✅ Verification successful

Based on the search results, I can now provide a final response:

Serialization changes are safe and backward compatible

The changes to the serialization format in RepformerLayer are handled properly across all backends (PyTorch, JAX, TensorFlow) with appropriate version checks and backward compatibility. Key findings:

  • The version compatibility is explicitly checked during deserialization (check_version_compatibility(data.pop("@version"), 2, 1))
  • All residual parameters are properly serialized and deserialized with consistent handling
  • The serialization format is used consistently across the codebase with proper version handling
  • Test coverage exists for serialization/deserialization in all backends
🏁 Scripts executed

The following scripts were executed for the analysis:

Script:

#!/bin/bash
# Description: Check for any direct access to residual parameters and verify serialization usage

# Test 1: Find all instantiations and usages of RepformerLayer
echo "=== Finding RepformerLayer usages ==="
rg -l "RepformerLayer"

# Test 2: Check for any direct access to residual parameters
echo -e "\n=== Checking for direct access to residual parameters ==="
rg "g[12h]_residual"

# Test 3: Find serialization/deserialization calls
echo -e "\n=== Finding serialize/deserialize calls ==="
rg -A 2 "serialize|deserialize.*RepformerLayer"

Length of output: 246022

deepmd/dpmodel/descriptor/repformers.py (3)

1795-1795: Ensure Consistent Versioning in Serialization

Including "@version": 2 in the serialize method is appropriate for version tracking. However, verify that all related serialization and deserialization methods are consistently updated to handle this version change properly.


1880-1884: Organize Residual Variables Under @variables for Clarity

Serializing g1_residual, g2_residual, and h2_residual under the @variables key improves data organization and aligns with serialization best practices. This change enhances readability and maintains a structured format.


1920-1923: Ensure Proper Deserialization of Residual Variables

The deserialization of g1_residual, g2_residual, and h2_residual now correctly handles the new structure by accessing them from the @variables dictionary. This approach also provides backward compatibility by defaulting to an empty list if the keys are not present.

@github-actions github-actions bot added the Python label Nov 7, 2024
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codecov bot commented Nov 7, 2024

Codecov Report

All modified and coverable lines are covered by tests ✅

Project coverage is 84.33%. Comparing base (3236db5) to head (f3da79e).
Report is 130 commits behind head on devel.

Additional details and impacted files
@@            Coverage Diff             @@
##            devel    #4324      +/-   ##
==========================================
- Coverage   84.42%   84.33%   -0.09%     
==========================================
  Files         570      570              
  Lines       53107    53109       +2     
  Branches     3059     3059              
==========================================
- Hits        44836    44790      -46     
- Misses       7307     7354      +47     
- Partials      964      965       +1     

☔ View full report in Codecov by Sentry.
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@wanghan-iapcm wanghan-iapcm added this pull request to the merge queue Nov 8, 2024
Merged via the queue into deepmodeling:devel with commit 15bb00c Nov 8, 2024
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[BUG] DPA-2 model cannot be converted to .dp format
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