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Scalable Graph Networks for Particle Simulations

AAAI 2021 · Graph learning › Graph algorithms and clustering · approach: Continuous DAG structure learning · 3 citations (OpenAlex)

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Measured effects reported in the paper

What was changedWhereMeasuredEffect
Replace the fully connected interaction graph with a hierarchical graphDeltaGN · Coulomb, 100 particles20-step rollout RMSE: 0.0045 ± 2.7 · 10^{-4} -> 0.0052 ± 1.61 · 10^{-4}Hurt
Replace the fully connected interaction graph with a hierarchical graphDeltaGN · Coulomb, 1000 particles20-step rollout RMSE: 0.1744 ± 0.0234 -> 0.0058 ± 1.45 · 10^{-4}Helped
Replace the fully connected interaction graph with a hierarchical graphDeltaGN · Coulomb, 1000 particles200-step rollout RMSE: NA -> 0.1252 ± 0.0020Helped
Use a hierarchical graph with HOGN rather than a fully connected graphHOGN · Gravitational, 100 particles20-step rollout RMSE: (2.09 ± 0.26) · 10^{-4} -> 0.0046 ± 0.0042Hurt
Use 2 hierarchy levels instead of 3 (ablation)Hierarchical DeltaGN · Gravitational, 100 particles20-step rollout RMSE [10^{-3}]: 1.571 ± 0.017 -> 1.706 ± 0.184Hurt
Use 4 hierarchy levels instead of 3 (ablation)Hierarchical DeltaGN · Gravitational, 100 particles20-step rollout RMSE [10^{-3}]: 1.571 ± 0.017 -> 1.545 ± 0.023Helped
Use 5 hierarchy levels instead of 3 (ablation)Hierarchical DeltaGN · Gravitational, 100 particles20-step rollout RMSE [10^{-3}]: 1.571 ± 0.017 -> 1.592 ± 0.018Hurt
Use the hierarchical graph instead of 15-nearest-neighbour edgesDeltaGN · Gravitational, 1000 particles, 24 hours20-step rollout RMSE: 0.0086 ± 2.15 · 10^{-5} -> 0.0014 ± 2.73 · 10^{-5}Helped
Use the hierarchical graph instead of 15-nearest-neighbour edgesDeltaGN · Gravitational, 1000 particles, 24 hours200-step rollout RMSE: 0.1565 ± 2.35 · 10^{-4} -> 0.05119 ± 0.0011Helped
Use roughly log4(N) hierarchy levels rather than too few or too many (ablation)Hierarchical DeltaGN · Gravitational, 100 particlesForward pass time: 2 levels: 28 ms; 3 levels: 23 ms; 4 levels: 27 ms; 5 levels: 30 msMixed
Train with batch size 1 rather than the standard larger batch (ablation)DeltaGN and hierarchical models · Particle simulationsAccuracy: a ~ 5 time decrease in accuracy for the other modelsHurt
Use hierarchical interactions rather than only 15 nearest neighboursDeltaGN · Unseen particle counts, more than 100 particles20-step rollout RMSEHelped

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