fix(jax): make display_if_exist jit-able #4766

njzjz · 2025-05-26T13:48:44Z

Summary by CodeRabbit

Bug Fixes
- Enhanced loss display to support element-wise handling of properties, improving accuracy and consistency with array inputs.

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

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Pull Request Overview

This PR updates the display_if_exist function to be JIT-compatible by replacing a Python conditional with a call to xp.where.

Updated condition handling in display_if_exist
Adjusted logic to support JIT compilation

deepmd/dpmodel/loss/loss.py

coderabbitai · 2025-05-26T13:51:03Z

📝 Walkthrough

Walkthrough

The display_if_exist static method in the Loss class was modified to use xp.where for element-wise conditional selection instead of a simple boolean check. This change allows the method to handle array inputs for find_property, enabling vectorized operations and correct broadcasting when returning loss or NaN.

Changes

File	Change Summary
deepmd/dpmodel/loss/loss.py	Modified `display_if_exist` method to use `xp.where` for element-wise conditional logic instead of a scalar boolean check. No signature or class structure changes.

Sequence Diagram(s)

sequenceDiagram
    participant Caller
    participant Loss

    Caller->>Loss: display_if_exist(loss, find_property)
    Loss->>Loss: xp.where(find_property, loss, xp.nan)
    Loss-->>Caller: result (element-wise selection)

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Reviewing files that changed from the base of the PR and between 22e23dd and 9439587.

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deepmd/dpmodel/loss/loss.py (1 hunks)

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

deepmd/dpmodel/loss/loss.py

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Signed-off-by: Jinzhe Zeng <njzjz@qq.com>

for more information, see https://pre-commit.ci

codecov · 2025-05-28T20:16:03Z

Codecov Report

✅ All modified and coverable lines are covered by tests.
✅ Project coverage is 84.79%. Comparing base (75b175b) to head (9439587).
⚠️ Report is 92 commits behind head on devel.

Additional details and impacted files

@@           Coverage Diff           @@
##            devel    #4766   +/-   ##
=======================================
  Coverage   84.79%   84.79%           
=======================================
  Files         698      698           
  Lines       67734    67746   +12     
  Branches     3540     3540           
=======================================
+ Hits        57432    57445   +13     
  Misses       9171     9171           
+ Partials     1131     1130    -1

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## Summary by CodeRabbit - **Bug Fixes** - Enhanced loss display to support element-wise handling of properties, improving accuracy and consistency with array inputs.  --------- Signed-off-by: Jinzhe Zeng <jinzhe.zeng@ustc.edu.cn> Signed-off-by: Jinzhe Zeng <njzjz@qq.com> Co-authored-by: pre-commit-ci[bot] <66853113+pre-commit-ci[bot]@users.noreply.github.com>

fix(jax): make display_if_exist jit-able

cd60fbc

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

Copilot AI review requested due to automatic review settings May 26, 2025 13:48

github-actions bot added the Python label May 26, 2025

Copilot AI reviewed May 26, 2025

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deepmd/dpmodel/loss/loss.py Outdated Show resolved Hide resolved

njzjz marked this pull request as draft May 27, 2025 15:24

njzjz and others added 3 commits May 29, 2025 02:05

Update deepmd/dpmodel/loss/loss.py

22e23dd

Signed-off-by: Jinzhe Zeng <njzjz@qq.com>

asarray

36e6704

[pre-commit.ci] auto fixes from pre-commit.com hooks

9439587

for more information, see https://pre-commit.ci

njzjz marked this pull request as ready for review May 29, 2025 03:32

njzjz requested a review from wanghan-iapcm May 30, 2025 14:52

wanghan-iapcm approved these changes May 30, 2025

View reviewed changes

wanghan-iapcm added this pull request to the merge queue May 30, 2025

github-merge-queue bot removed this pull request from the merge queue due to no response for status checks May 31, 2025

njzjz added this pull request to the merge queue May 31, 2025

Merged via the queue into deepmodeling:devel with commit d36677d May 31, 2025
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njzjz deleted the jit-display_if_exist branch May 31, 2025 10:03

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