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Vectorized Conditional Neural Fields: A Framework for Solving Time-dependent Parametric Partial Differential Equations

ICML 2024 · Probabilistic and scientific modeling › Differential equations and PDEs · approach: Neural PDE solvers · 0 citations (OpenAlex)

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Proposes Vectorized Conditional Neural Fields (VCNeFs), a linear-transformer-conditioned neural field that predicts time-continuous PDE solutions for multiple spatio-temporal query points in parallel, conditioned on initial conditions and PDE parameters.

Problem

Neural surrogate models for time-dependent parametric PDEs lack generalization to unseen PDE parameters, zero-shot super-resolution, continuous temporal extrapolation, dimension-agnostic support, and efficient long rollouts; Transformer-based PDE solvers also suffer from quadratic cost.

Approach

Represent PDE solutions as a conditional neural field whose spatio-temporal query coordinates are encoded as a set, processed with linear self-attention to capture spatial dependencies, and modulated (FiLM-style scaling) by a latent encoding of the initial condition and PDE parameters, so all queried times and points are predicted in one forward pass.

Key results

Measured effects reported in the paper

What was changedWhereMeasuredEffect
add randomized starting points during trainingVCNeF · BurgersnRMSE: 0.0824 -> 0.0784Helped
add randomized starting points during trainingVCNeF · AdvectionbRMSE: 0.0088 -> 0.0040Helped
add randomized starting points during trainingVCNeF · 1D CNSnRMSE: 0.2943 -> 0.2029Helped
add randomized starting points during trainingVCNeF · 1D CNSbRMSE: 1.3496 -> 1.1366Hurt
remove spatial self-attention (ablation)VCNeF · 1D BurgersnRMSE: 0.0824 -> 0.8890Hurt
remove spatial self-attention (ablation)VCNeF · 1D BurgersbRMSE: 0.0228 -> 0.3242Hurt
add FiLM shifting to scaling (ablation)VCNeF · 1D BurgersnRMSE: 0.0824 -> 0.0945Hurt
add FiLM shifting to scaling (ablation)VCNeF · 1D BurgersbRMSE: 0.0228 -> 0.0291Hurt
use only large patches instead of small and large patches (ablation)VCNeF · 2D CNSnRMSE: 0.1994 -> 0.4569Hurt
use only large patches instead of small and large patches (ablation)VCNeF · 2D CNSbRMSE: 0.0904 -> 0.1982Hurt
replace linear attention with vanilla attention (ablation)VCNeF · 1D Burgers, 256 spatial resolutionGPU memory: 31.4 GiB -> 72.6 GiBHurt
replace linear attention with vanilla attention (ablation)VCNeF · 1D Burgers, 512 spatial resolutiontime per epoch: 32 s -> 78 sHurt

Surprising findings

Limitations

Experimental setup

Datasets: PDEBench 1D Burgers PDEBench 1D Advection PDEBench 1D CNS PDEBench 2D CNS PDEBench 3D CNS

Benchmarks: PDEBench 1D Burgers PDEBench 1D Advection PDEBench 1D CNS PDEBench 2D CNS PDEBench 3D CNS

Metrics: nRMSE bRMSE inference time GPU memory

Baselines: FNO cFNO MP-PDE UNet (PDEArena) CORAL Galerkin Transformer OFormer

Builds on: Conditional Neural Fields Linear Transformer FiLM Fourier Neural Operator CORAL

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