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@caic99 caic99 commented May 28, 2025

Summary by CodeRabbit

  • Bug Fixes
    • Improved the aggregation logic to conditionally compute bin counts, enhancing accuracy when averaging or specifying the number of owners.

@caic99 caic99 requested review from Copilot and iProzd May 28, 2025 07:52
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Pull Request Overview

The PR aims to optimize performance by skipping the costly bincount operation when it is unnecessary. Key changes include adding a conditional to determine whether to compute torch.bincount, updating the logic to adjust the output tensor shape based on available information, and overriding num_owner in specific cases.

Comments suppressed due to low confidence (1)

deepmd/pt/model/network/utils.py:40

  • Overriding 'num_owner' with bin_count.shape[0] in the else branch may ignore a user-provided value when average is True. Please confirm if this behavior is intentional and update the docstring if needed for clarity.
else:

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coderabbitai bot commented May 28, 2025

📝 Walkthrough

"""

Walkthrough

The aggregate function in deepmd/pt/model/network/utils.py was updated to compute the bin_count tensor only when necessary, specifically when num_owner is None or when averaging is required. The logic for handling zero counts and tensor extension was also adjusted accordingly, while the aggregation and averaging mechanisms remain unchanged.

Changes

File(s) Change Summary
deepmd/pt/model/network/utils.py Modified the aggregate function to conditionally compute bin_count, adjust zero handling and tensor sizing.

Sequence Diagram(s)

sequenceDiagram
    participant Caller
    participant aggregate

    Caller->>aggregate: Call aggregate(src, index, num_owner, avg)
    alt num_owner is None or avg is True
        aggregate->>aggregate: Compute bin_count
        alt num_owner specified and larger
            aggregate->>aggregate: Extend bin_count with ones
        end
        aggregate->>aggregate: Replace zero bin_count with ones
    else
        aggregate->>aggregate: Skip bin_count computation
    end
    aggregate->>aggregate: Initialize output tensor with zeros
    aggregate->>aggregate: Perform index_add_ aggregation
    alt avg is True
        aggregate->>aggregate: Divide output by bin_count
    end
    aggregate-->>Caller: Return aggregated output
Loading

"""


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📒 Files selected for processing (1)
  • deepmd/pt/model/network/utils.py (1 hunks)
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  • deepmd/pt/model/network/utils.py
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codecov bot commented May 28, 2025

Codecov Report

✅ All modified and coverable lines are covered by tests.
✅ Project coverage is 84.79%. Comparing base (75b175b) to head (aefd3b5).
⚠️ Report is 91 commits behind head on devel.

Additional details and impacted files
@@           Coverage Diff           @@
##            devel    #4773   +/-   ##
=======================================
  Coverage   84.79%   84.79%           
=======================================
  Files         698      698           
  Lines       67734    67750   +16     
  Branches     3540     3540           
=======================================
+ Hits        57432    57449   +17     
  Misses       9171     9171           
+ Partials     1131     1130    -1     

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@iProzd iProzd added this pull request to the merge queue May 30, 2025
Merged via the queue into deepmodeling:devel with commit 8a9fc78 May 30, 2025
60 checks passed
@iProzd iProzd deleted the perf-aggregate branch May 30, 2025 17:29
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