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@caic99 caic99 commented Mar 31, 2025

Similar changes of #4677

Brings +5% speed up compared with #4687

Summary by CodeRabbit

  • Refactor
    • Adjusted the order of operations in update calculations to enhance clarity while maintaining the same functional outcomes.

@caic99 caic99 requested review from Copilot and iProzd March 31, 2025 08:57
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Pull Request Overview

This pull request rearranges the sequence of addition operations within the optim_angle_update and optim_edge_update functions to boost performance, achieving a +5% speedup over previous changes.

  • Updated the order of summing sub-tensor updates and bias in optim_angle_update.
  • Reordered addition operations in optim_edge_update to similarly optimize performance.

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coderabbitai bot commented Mar 31, 2025

📝 Walkthrough

Walkthrough

The changes involve reordering components in the optim_angle_update and optim_edge_update methods within the repflow_layer.py and repflows.py files. Specifically, the bias term is now added first in both methods, while the sub_angle_update term is moved to the end in optim_angle_update. The sequence of operations is modified, but the mathematical outcomes remain unchanged.

Changes

File(s) Change Summary
deepmd/pt/.../repflow_layer.py Reordered the addition order in optim_angle_update and optim_edge_update: bias is now first, and sub_angle_update is last in optim_angle_update. In optim_edge_update, bias is first, followed by sub_node_update, sub_edge_update, and sub_node_ext_update.
deepmd/dpmodel/.../repflows.py Similar reordering of terms in optim_angle_update and optim_edge_update: bias is first, and sub_angle_update is last in optim_angle_update. In optim_edge_update, bias is first, followed by sub_node_update, sub_edge_update, and sub_node_ext_update.

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  • iProzd

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Reviewing files that changed from the base of the PR and between aad66f9 and 2dd7869.

📒 Files selected for processing (1)
  • deepmd/dpmodel/descriptor/repflows.py (2 hunks)
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🔇 Additional comments (2)
deepmd/dpmodel/descriptor/repflows.py (2)

836-842: Approve the performance optimization in optim_angle_update

The reordering of the terms in the addition operation places the scalar bias at the beginning and moves sub_angle_update to the end. While this doesn't change the mathematical outcome due to the commutative property of addition, it appears to provide performance benefits.


885-890: Approve the performance optimization in optim_edge_update

Similar to the change in optim_angle_update, this reordering places the scalar bias at the beginning of the addition sequence. This is a good optimization that doesn't affect the calculation result while improving performance.

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codecov bot commented Mar 31, 2025

Codecov Report

All modified and coverable lines are covered by tests ✅

Project coverage is 84.80%. Comparing base (52f8ece) to head (2dd7869).
Report is 77 commits behind head on devel.

Additional details and impacted files
@@           Coverage Diff           @@
##            devel    #4688   +/-   ##
=======================================
  Coverage   84.80%   84.80%           
=======================================
  Files         692      692           
  Lines       66409    66408    -1     
  Branches     3538     3539    +1     
=======================================
  Hits        56320    56320           
+ Misses       8948     8947    -1     
  Partials     1141     1141           

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@iProzd iProzd added this pull request to the merge queue Apr 1, 2025
Merged via the queue into deepmodeling:devel with commit 87426d5 Apr 1, 2025
60 checks passed
@caic99 caic99 deleted the reschedule-plus-op branch May 7, 2025 07:06
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