提出D-Flow SGLD,实现无需重训练的科学逆问题后验采样。
D-Flow SGLD: Source-Space Posterior Sampling for Scientific Inverse Problems with Flow Matching
- 在源空间中通过梯度流匹配进行后验推断,保持生成动态不变
- 新测量下可扩展采样,无需重训练或修改已学流模型
- 适用于湍流等复杂物理系统的不确定性重建,适合科研人员
数据同化与科学逆问题需从稀疏噪声观测中重构高维物理状态,理想情况下应生成符合学习先验与物理规律的不确定性后验样本。尽管扩散模型已有成熟的无训练条件生成方法,但针对流匹配(FM)先验的相应条件化与后验采样策略仍不充分,尤其在科学基准上,保真度需超越测量误差。本文研究基于FM先验的无训练条件生成,并按信息注入位置分类现有推理时策略:(i) 利用似然信息扰动采样轨迹的引导传输动力学;(ii) 固定传输过程下对源变量进行后验推断。基于后者,我们提出D-Flow SGLD,将可微源推断与预处理随机梯度朗之万动力学结合,实现无需重训练或修改已学流动力学即可对新测量算子诱导的源后验进行高效探索。我们在一系列问题上评估代表性方法:二维模拟后验、混沌的Kuramoto-Sivashinsky轨迹及壁面约束湍流重构。跨场景量化了测量同化、后验多样性与物理/统计保真之间的权衡,确立D-Flow SGLD为科学逆问题中兼容流匹配的实用后验采样器。
原文摘要 · Abstract (English)
Data assimilation and scientific inverse problems require reconstructing high-dimensional physical states from sparse and noisy observations, ideally with uncertainty-aware posterior samples that remain faithful to learned priors and governing physics. While training-free conditional generation is well developed for diffusion models, corresponding conditioning and posterior sampling strategies for Flow Matching (FM) priors remain comparatively under-explored, especially on scientific benchmarks where fidelity must be assessed beyond measurement misfit. In this work, we study training-free conditional generation for scientific inverse problems under FM priors and organize existing inference-time strategies by where measurement information is injected: (i) guided transport dynamics that perturb sampling trajectories using likelihood information, and (ii) source-distribution inference that performs posterior inference over the source variable while keeping the learned transport fixed. Building on the latter, we propose D-Flow SGLD, a source-space posterior sampling method that augments differentiable source inference with preconditioned stochastic gradient Langevin dynamics, enabling scalable exploration of the source posterior induced by new measurement operators without retraining the prior or modifying the learned FM dynamics. We benchmark representative methods from both families on a hierarchy of problems: 2D toy posteriors, chaotic Kuramoto-Sivashinsky trajectories, and wall-bounded turbulence reconstruction. Across these settings, we quantify trade-offs among measurement assimilation, posterior diversity, and physics/statistics fidelity, and establish D-Flow SGLD as a practical FM-compatible posterior sampler for scientific inverse problems.
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