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Enhancing the Inductive Biases of Graph Neural ODE for Modeling Physical Systems

ICLR 2023 · Graph learning › GNN architectures · approach: Physics-inspired GNNs · 1 citations (OpenAlex)

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Measured effects reported in the paper

What was changedWhereMeasuredEffect
add explicit constraints (CGnode: predict nodal force, compute acceleration via constrained Lagrangian dynamics) (ablation)Gnode on pendulum · n-pendulum (5-link trained, 4 and 5 link tested)energy violation and rollout error: ~4 orders of magnitudeHelped
decouple internal (local, topology-based) and body (global position/velocity) forces (ablation)CGnode (CDGnode) · pendulum and spring systemsenergy violation and rollout error: ~1 order of magnitudeHelped
enforce Newton's third law (edge-based symmetric forces, momentum conserving) (ablation)CDGnode (MCGnode) · spring systemmomentum error: zero momentum errorHelped
enforce Newton's third law (MCGnode) (ablation)CDGnode on pendulum · pendulum systemmomentum errorNo clear effect
MCGnode vs Gnode-style baseline on large unseen systemsMCGnode vs LGN/HGN · generalization to 20/50-link spring and 10/20-link pendulumenergy and rollout errorHelped
full graph architecture for LGN/HGN vs the Gnode GNN backbone (ablation)LGN and HGN · n-pendulum and springperformanceHelped
removing velocity as input (MCGnode-woV) (ablation)MCGnode · 5-link pendulumenergy violation and rollout errorHurt
use relative velocity instead of relative position as edge feature (ablation)Gnode · pendulum trainingtraining loss convergenceHurt
MCGnode vs Node trained per system (training efficiency)MCGnode · 5-spring and 5-pendulum, dataset sizes 100 to 10000energy and rollout error: orders of magnitudeHelped
Gnode without additional biases vs Node trained per system (ablation)Gnode · 3,4,5 pendulum and springenergy and rollout errorNo clear effect

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