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DPOT: Auto-Regressive Denoising Operator Transformer for Large-Scale PDE Pre-Training

ICML 2024 · Architectures and efficiency › Attention and transformers · approach: Transformer neural operators for PDEs · 6 citations (OpenAlex)

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Proposes DPOT, a Fourier-attention transformer pre-trained with auto-regressive denoising (Gaussian noise injection) on 12 mixed PDE datasets (>100k trajectories), scaling to ~1B parameters for zero-shot and fine-tuned PDE operator learning.

Problem

Large-scale pre-training of neural operators for PDEs is hard due to long trajectories, multi-scale dynamics, and varying dimensions, resolutions, and channel counts across PDE datasets.

Approach

Auto-regressive next-frame prediction with small Gaussian noise injected into input frames to reduce error accumulation, combined with a scalable Fourier-attention transformer (shared-MLP frequency mixing, multi-head, temporal aggregation) and balanced dataset sampling.

Key results

Measured effects reported in the paper

What was changedWhereMeasuredEffect
Add auto-regressive denoising pre-training (ablation)DPOT · PDEBench test subsets (average)L2RE: 0.0178 -> 0.0152Helped
Use noise level 5E-4 instead of 5E-5 (ablation)DPOT · PDEBench test subsets (average)L2RE: 0.0152 -> 0.0156Hurt
Use noise level 5E-3 or 5E-2 instead of 5E-5 (ablation)DPOT · PDEBench test subsets (average)L2RE: 0.0152 -> 0.0672; 0.0152 -> 0.753Hurt
Use 1, 4, or 16 Fourier attention heads instead of 8 (ablation)DPOT · PDEBench test subsets (average)L2RE: 0.0174 -> 0.0214; 0.0174 -> 0.0186; 0.0174 -> 0.0188Hurt
Use patch size 2, 4, or 16 instead of 8 (ablation)DPOT · PDEBench test subsets (average)L2RE: 0.0174 -> 0.369; 0.0174 -> 0.0275; 0.0174 -> 0.0278Hurt
Apply frequency-domain soft-thresholding (ablation)DPOT Fourier attention · PDEBench test subsets (average)Test loss: 0.0174 -> 0.121Hurt
Use balanced instead of equal dataset sampling (ablation)DPOT-Tiny · Multiple PDE datasetsL2RE: FNO-1e-5: 0.177 -> 0.0976; PDB-M1: 0.0265 -> 0.0285Mixed
Replace Fourier mixer with self-attention (ablation)DPOT · PDEBench test subsetsTest loss: 0.0174 -> 0.0238Hurt
Scale DPOT from 30M to 500M parametersDPOT zero-shot · PDEBench (0.1, 0.01)L2RE: 0.0188 -> 0.0115Helped
Fine-tune from PDE-pre-trained weights instead of training from scratchDPOT · PDEBench 3DL2RE: 0.262 -> 0.226Helped
Fine-tune from PDE-pre-trained weights instead of training from scratchDPOT · CNO steady-stateL1-Median: 0.0331 -> 0.0230Helped
Initialize DPOT with PDE-pre-trained weightsDPOT · FNO-1e-3, trajectory length 500L2RE: 0.0912 -> 0.0385Helped

Surprising findings

Limitations

Experimental setup

Datasets: FNO vorticity datasets (1e-5, 1e-4, 1e-3 viscosity) PDEBench CNS, DR, SWE PDEArena NS CFDBench

Benchmarks: PDEBench PDEArena CFDBench FNO vorticity datasets PDEBench turbulence (downstream) 3D Navier-Stokes (downstream) CNO steady-state (downstream) SuperBench

Metrics: L2RE relative median L1 error RFNE

Baselines: FNO UNet FFNO GK-Transformer GNOT OFormer MPP-AViT FNO-m

Builds on: Fourier neural operator AFNO MPP vision transformer

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