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SNN-PDE: Learning Dynamic PDEs from Data with Simplicial Neural Networks

AAAI 2024 · Probabilistic and scientific modeling › Differential equations and PDEs · approach: Neural PDE solvers · 2 citations (OpenAlex)

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Proposes SNN-PDE, a graph/simplicial neural network that combines Hodge-Laplacian simplicial convolution with multi-hop graph convolutions to learn time-dependent PDE dynamics on irregular grids.

Problem

Learning surrogate solvers for time-dependent PDEs on irregularly spaced, unstructured measurement locations and manifold-like domains, where grid-based and pairwise GNN methods miss higher-order structure.

Approach

Introduces discrete Hodge-Laplacian simplicial convolutions (over edges and triangles, fused with attention) alongside dual multi-hop grid-structural and adaptive graph convolutions, and uses the resulting node embeddings as the right-hand side of a neural ODE solved with an adaptive Adams solver.

Key results

Measured effects reported in the paper

What was changedWhereMeasuredEffect
use SNN-PDE instead of the strongest baselinePDE state estimation · ConvDiff N750mean relative error: 0.119±0.015 -> 0.108±0.010Helped
use SNN-PDE instead of the strongest baselinePDE state estimation · ConvDiff N1500mean relative error: 0.078±0.012 -> 0.072±0.004Helped
use SNN-PDE instead of the strongest baselinePDE state estimation · ConvDiff N3000mean relative error: 0.079±0.036 -> 0.049±0.006Helped
use SNN-PDE instead of the strongest baselinePDE state estimation · Heatmean relative error: 0.052±0.036 -> 0.022±0.006Helped
use SNN-PDE instead of the strongest baselinePDE state estimation · Burgersmean relative error: 0.330±0.010 -> 0.306±0.050Helped
use SNN-PDE instead of the strongest baselinewildfire PDE state estimation · Eastern U.S.mean relative error: 71.656±4.164 -> 64.424±2.361Helped
use SNN-PDE instead of the strongest baselinewildfire PDE state estimation · Western U.S.mean relative error: 214.041±0.980 -> 200.657±0.907Helped
use SNN-PDE instead of the strongest baselinePDE state estimation · Stanford Bunnymean relative error: 0.217±0.005 -> 0.213±0.001Helped
add the multi-channel simplicial convolution encoder (ablation)SNN-PDE · ConvDiff N750mean relative error: 0.135±0.037 -> 0.108±0.010Helped
add the multi-hop grid-structural graph convolution (ablation)SNN-PDE · ConvDiff N750mean relative error: 0.113±0.025 -> 0.108±0.010Helped
add the multi-hop adaptive graph convolution (ablation)SNN-PDE · ConvDiff N750mean relative error: 0.116±0.023 -> 0.108±0.010Helped
add the multi-channel simplicial convolution encoder (ablation)SNN-PDE · Burgersmean relative error: 0.336±0.032 -> 0.306±0.050Helped

Surprising findings

Limitations

Experimental setup

Datasets: ConvDiff synthetic simulations Heat equation simulations Burgers equation simulations HYSPLIT PM2.5 simulations (Quebec wildfire, NOAA) Stanford Bunny

Benchmarks: ConvDiff N750 ConvDiff N1500 ConvDiff N3000 Heat Burgers Eastern U.S. wildfire Western U.S. wildfire Stanford Bunny

Metrics: mean relative error standard deviation one-sided two-sample t-test

Baselines: CNN ResNet EdgeConv PDE-Net 2.0 GNN-PDE R-MPGNN EA-GNN M-GNN

Builds on: MP-PDE GNN-PDE simplicial neural networks EdgeConv PDE-Net 2.0

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