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Migrate Lagrangian-MGN example to PyTorch Geometric#1053

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Alexey-Kamenev merged 7 commits intoNVIDIA:mainfrom
Alexey-Kamenev:pyg-lmgn
Aug 11, 2025
Merged

Migrate Lagrangian-MGN example to PyTorch Geometric#1053
Alexey-Kamenev merged 7 commits intoNVIDIA:mainfrom
Alexey-Kamenev:pyg-lmgn

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@Alexey-Kamenev Alexey-Kamenev commented Aug 6, 2025

PhysicsNeMo Pull Request

Description

Migrate Lagrangian-MGN example to PyTorch Geometric

Key Changes

  1. Added PyG-based Lagrangian-MGN example.
  2. Renamed existing DGL-based example to lagrangian_mgn_dgl
  3. Updated existing unit tests, added equivalency test.

Loss

blue: DGL
red: PyG

image

Inference:

DGL animation_0
PyG animation_0

Checklist

  • I am familiar with the Contributing Guidelines.
  • New or existing tests cover these changes.
  • The documentation is up to date with these changes.
  • The CHANGELOG.md is up to date with these changes.
  • An issue is linked to this pull request.

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@Alexey-Kamenev Alexey-Kamenev self-assigned this Aug 6, 2025
@Alexey-Kamenev Alexey-Kamenev added the 3 - Ready for Review Ready for review by team label Aug 6, 2025
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@mnabian mnabian self-requested a review August 11, 2025 21:48
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mnabian commented Aug 11, 2025

This looks good to me! Approving
Please note that we now have Warp implementation of neighbor search than can be used instead of torch.cdist, but that can be a separate PR...

@Alexey-Kamenev Alexey-Kamenev merged commit 382df9f into NVIDIA:main Aug 11, 2025
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@Alexey-Kamenev Alexey-Kamenev deleted the pyg-lmgn branch August 12, 2025 19:04
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