arXiv:2505.17004cs.LGcs.AI2025-05NeurIPS被引 34

用扩散模型从稀疏数据中恢复偏微分方程解,无需依赖离散化网格。

Guided Diffusion Sampling on Function Spaces with Applications to PDEs

  • 在函数空间构建无网格扩散模型,通过梯度引导匹配稀疏观测数据。
  • 仅用3%观测数据,平均精度提升32%,采样步骤减少4倍。
  • 适用于多分辨率泛化,适合求解少样本、高噪声的反问题。

我们提出一种用于基于偏微分方程(PDE)逆问题的条件采样通用框架,旨在从极稀疏或噪声严重的测量中恢复完整解。该方法采用函数空间扩散模型与即插即用的引导机制实现条件约束。首先,利用神经算子架构训练一个无须离散化的无条件去噪模型。推理时,通过基于梯度的引导机制对样本进行精修,使其满足稀疏观测数据。通过严格的数学分析,我们将Tweedie公式扩展至无限维Banach空间,为后验采样提供了理论基础。所提方法FunDPS在极低监督和严重数据稀缺条件下准确捕捉函数空间中的后验分布。在五个PDE任务中,仅使用3%观测数据,其平均精度较现有固定分辨率扩散基线提升32%,同时采样步数减少4倍。此外,多分辨率微调保证了强跨分辨率泛化能力。据我们所知,这是首个独立于离散化的基于扩散的框架,为PDE的正向与逆问题提供了实用且灵活的解决方案。代码已开源:https://github.com/neuraloperator/FunDPS。

原文摘要 · Abstract (English)

We propose a general framework for conditional sampling in PDE-based inverse problems, targeting the recovery of whole solutions from extremely sparse or noisy measurements. This is accomplished by a function-space diffusion model and plug-and-play guidance for conditioning. Our method first trains an unconditional, discretization-agnostic denoising model using neural operator architectures. At inference, we refine the samples to satisfy sparse observation data via a gradient-based guidance mechanism. Through rigorous mathematical analysis, we extend Tweedie's formula to infinite-dimensional Banach spaces, providing the theoretical foundation for our posterior sampling approach. Our method (FunDPS) accurately captures posterior distributions in function spaces under minimal supervision and severe data scarcity. Across five PDE tasks with only 3% observation, our method achieves an average 32% accuracy improvement over state-of-the-art fixed-resolution diffusion baselines while reducing sampling steps by 4x. Furthermore, multi-resolution fine-tuning ensures strong cross-resolution generalizability. To the best of our knowledge, this is the first diffusion-based framework to operate independently of discretization, offering a practical and flexible solution for forward and inverse problems in the context of PDEs. Code is available at https://github.com/neuraloperator/FunDPS

扩散模型偏微分方程逆问题函数空间

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