fix(pt): set weights_only=True for torch.load

[njzjz]

Fix #4143.

Summary by CodeRabbit

• New Features

  • Enhanced model loading efficiency by only loading model weights, which reduces memory usage and improves performance.

• Bug Fixes

  • Streamlined the loading process across various components, ensuring that only essential model parameters are loaded, thus optimizing the overall functionality.

• Tests

  • Updated tests to reflect the new loading behavior, ensuring that only model weights are loaded in various test scenarios for improved clarity and performance.

[coderabbitai]

Walkthrough

Walkthrough

The changes in this pull request involve modifying multiple files to update the torch.load function calls by adding the weights_only=True argument. This adjustment ensures that only the model weights are loaded, rather than the entire state dictionary, across various functions related to training, inference, and testing. The updates aim to streamline the loading process while maintaining existing functionality.

Changes

Files	Change Summary
deepmd/pt/entrypoints/main.py, deepmd/pt/infer/deep_eval.py, deepmd/pt/infer/inference.py, deepmd/pt/train/training.py, deepmd/pt/utils/finetune.py, deepmd/pt/utils/serialization.py	Updated torch.load to include weights_only=True in various functions to load only model weights.
source/tests/pt/model/test_descriptor_dpa1.py, source/tests/pt/model/test_descriptor_dpa2.py, source/tests/pt/model/test_saveload_dpa1.py, source/tests/pt/model/test_saveload_se_e2_a.py, source/tests/pt/test_change_bias.py	Modified torch.load in test methods to include weights_only=True for optimized loading.

Sequence Diagram(s)

sequenceDiagram
    participant User
    participant Model
    participant Torch

    User->>Model: Request to load model
    Model->>Torch: Load model with weights_only=True
    Torch-->>Model: Return model weights
    Model-->>User: Provide loaded model

Loading

Assessment against linked issues

Objective	Addressed	Explanation
Address torch.load warnings by using weights_only=True (#[4143])	✅

Possibly related PRs

• fix(pt): make state_dict safe for weights_only #4148: This PR modifies the torch.load function calls to include the weights_only=True argument, directly aligning with the changes made in the main PR regarding the loading of model state dictionaries.

Suggested reviewers

• iProzd
• wanghan-iapcm

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Recent review details

Configuration used: CodeRabbit UI
Review profile: CHILL

Commits

Files that changed from the base of the PR and between 1c0f994 and 35b27cb.

Files selected for processing (2)

• deepmd/pt/infer/deep_eval.py (1 hunks)
• deepmd/pt/train/training.py (1 hunks)

Files skipped from review as they are similar to previous changes (2)

• deepmd/pt/infer/deep_eval.py
• deepmd/pt/train/training.py

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[njzjz]

WeightsUnpickler error: Unsupported class numpy.core.multiarray.scalar

Surprisingly, in some place, NumPy arrays are saved to the state dict. cc @iProzd @wanghan-iapcm

[njzjz]

>>> type(torch.load("model.ckpt.pt")["model"]["_extra_state"]["train_infos"]["lr"])
<class 'numpy.float64'>

[codecov]

Codecov Report

Attention: Patch coverage is 85.71429% with 1 line in your changes missing coverage. Please review.

Project coverage is 83.42%. Comparing base (6010c73) to head (35b27cb).

Files with missing lines	Patch %	Lines
deepmd/pt/utils/serialization.py	0.00%	1 Missing ⚠️

Additional details and impacted files

@@           Coverage Diff           @@
##            devel    #4147   +/-   ##
=======================================
  Coverage   83.41%   83.42%           
=======================================
  Files         532      532           
  Lines       52048    52048           
  Branches     3046     3046           
=======================================
+ Hits        43416    43419    +3     
+ Misses       7684     7682    -2     
+ Partials      948      947    -1     

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