用扩散模型修复神经算子的高频偏差,仅需稀疏观测数据即可实现精准预测。
Correcting Neural Operator Spectral Bias via Diffusion Posterior Sampling with Sparse Observations

- 将神经算子输出作为扩散模型先验,结合稀疏观测进行后验采样
- 在5%和2%传感器覆盖率下,全频段高频误差接近零
- 无需反向传播,通过频谱加权引导提升高精度,适合科学计算场景
神经算子代理(NO)可比数值求解器快多个数量级地近似偏微分方程(PDE)解,但存在谱偏差问题:高频成分被系统性抑制,限制了精细结构重要场景下的可靠性。稀疏传感器测量可提供无谱失真的点对点精度,但仅覆盖域的极小部分。本文提出一种方法,将NO预测视为扩散后验采样框架中的辅助观测。所提方法FreqNO-DPS结合基于高保真模拟训练的无条件得分扩散先验,以及以稀疏观测为条件、由冻结神经算子引导的扩散后验采样(DPS)。直接整合会重引入代理的谱偏差;我们通过闭式频谱调制引导得分解决此问题,该得分根据代理在不同频率上的准确性加权,且无需去噪器反向传播。分布无关分析表明,在频率-扩散-时间平面上逼近误差有界,且引导的频率依赖性不受分布假设影响。在3D弹性波场预测任务中,5%与2%传感器覆盖率下,该方法实现了所有频段近乎零的谱偏差,而原始代理与仅传感器的DPS均表现出显著高频衰减。各向同性引导(自然基线)虽提升点精度,但几乎完整保留谱偏差,证明频率校准是必需而非有益。该框架仅需配对的代理/参考数据,除残差的近似谱对角性外无需问题特异性结构,新代理可通过我们提供的相干诊断验证。
原文摘要 · Abstract (English)
Neural operator surrogates (NO) approximate PDE solutions orders of magnitude faster than numerical solvers, but suffer from spectral bias: high-frequency content is systematically attenuated, limiting reliability where fine-scale structure matters. Sparse sensor measurements of the field are often available too, offering pointwise accuracy without spectral distortion but covering only a small fraction of the domain. We address this by treating NO predictions as auxiliary observations in a diffusion posterior sampling framework. Our method, FreqNO-DPS (https://github.com/niccoloperrone/FreqNO-DPS), combines an unconditional score-based diffusion prior, trained on high-fidelity simulations, with diffusion posterior sampling (DPS) conditioned on sparse observations and guided by a frozen neural operator. Naive integration reintroduces the surrogate's spectral bias; we resolve this with a closed-form, spectrally shaped guidance score that weights the surrogate by its frequency-dependent accuracy and needs no denoiser backpropagation. A distribution-free analysis bounds the approximation error across the frequency-diffusion-time plane and shows the guidance's frequency dependence is preserved regardless of distributional assumptions. On 3D elastic wavefield prediction at 5% and 2% sensor coverage, the method reaches near-zero spectral bias across all bands, where both the surrogate and sensor-only DPS show systematic high-frequency attenuation. Isotropic guidance, the natural baseline, improves pointwise accuracy but carries the bias into the posterior nearly intact, confirming that frequency-dependent calibration is essential, not merely beneficial. The framework needs only paired surrogate/reference data and exploits no problem-specific structure beyond the residual's approximate spectral diagonality, verifiable for new surrogates via the coherence diagnostic we provide.
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