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Physics-Embedded Neural Networks: Graph Neural PDE Solvers with Mixed Boundary Conditions

NeurIPS 2022 · Graph learning › GNN architectures · approach: Physics-inspired GNNs · 23 citations (OpenAlex)

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Measured effects reported in the paper

What was changedWhereMeasuredEffect
use NIsoGCN (Neumann-aware gradient) instead of original IsoGCNIsoGCN · Gradient datasetMSE gradient (x1e-3): 192.72 -> 6.70Helped
use NIsoGCN instead of IsoGCN, loss on Neumann boundary onlyIsoGCN · Gradient datasetMSE Neumann boundary (x1e-3): 1390.95 -> 3.52Helped
use E(n)-equivariant PENN instead of MP-PDE on rotated/translated test dataMP-PDE · Incompressible flow, transformedMSE u (x1e-4): 1953.62 -> 4.36Helped
PENN vs MP-PDE on untransformed test dataMP-PDE · Incompressible flowMSE u (x1e-4): 1.30 -> 4.36Hurt
add boundary encoder (encoded boundary) (ablation)PENN · Incompressible flowMSE: Divergent -> 4.36Helped
add boundary conditions inside the neural nonlinear solver (ablation)PENN · Incompressible flowMSE u (x1e-4): 65.10 -> 4.36Helped
add neural nonlinear solver (ablation)PENN · Incompressible flowMSE u (x1e-4): 31.03 -> 4.36Helped
add boundary condition input (ablation)PENN · Incompressible flowMSE u (x1e-4): 20.08 -> 4.36Helped
add Dirichlet layer (ablation)PENN · Incompressible flowMSE u (x1e-4): 8.22 -> 4.36Helped
add pseudoinverse decoder (ablation)PENN · Incompressible flowMSE u (x1e-4): 8.91 -> 4.36Helped
pseudoinverse decoder instead of Dirichlet layer after decoding (ablation)PENN · Incompressible flowMSE u (x1e-4): 6.65 -> 4.36Helped

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