用神经算子加速流体逆设计,实现秒级不确定度推理。
Accelerating Bayesian inverse design in computational fluid dynamics using neural operators

- 将神经算子嵌入贝叶斯推断流程,替代高耗时的流体仿真。
- 在稀疏到全观测场景下,后验几何与不确定性与真实仿真一致。
- 推理时间压缩至1秒内,适合工程级实时逆向设计需求。
贝叶斯逆设计为从稀疏流场观测中推断气动外形并量化不确定性提供了严谨框架,但其在计算流体力学(CFD)中的应用受限于梯度型马尔可夫链蒙特卡洛(MCMC)采样所需的重复高保真仿真成本。尽管代理模型常被用于降低该成本,其对后验几何与不确定性的实际影响,尤其在激波主导流动中仍不明确。本文证明,神经算子代理可直接嵌入MCMC推断环路,同时保持后验结构不变。基于准一维喷管流的全贝叶斯逆设计框架,我们发现几何参数化对可辨识性与后验条件有决定性影响,三次B样条可生成稳定且物理解释清晰的不确定性估计。在此基础上,使用CFD数据训练的深度算子网络被替换到无须转弯采样器(NUTS)中,保持似然模型、先验和采样配置不变。在从稀疏到完全观测的不同场景下,代理模型推断结果与CFD参考的后验几何及不确定性趋势高度一致。由于代理集成,总推理时间缩短至1秒以下,提速超过三个数量级。此外,还考察了直接逆向神经算子作为确定性替代方案,实现无需后验采样的单次几何重构。这些结果表明,神经算子加速的贝叶斯推断使气动应用中实用且具备不确定性感知的逆向设计成为可能。
原文摘要 · Abstract (English)
Bayesian inverse design provides a principled framework for inferring aerodynamic geometries from sparse flow observations while quantifying uncertainty. However, its practical use in computational fluid dynamics (CFD) is severely limited by the cost of repeated high-fidelity simulations required for gradient-based Markov chain Monte Carlo (MCMC) sampling. While surrogate models are commonly proposed to reduce this cost, their effect on posterior geometry and uncertainty, especially for shock-dominated flows, remains poorly understood. In this work, we demonstrate that neural operator surrogates can be embedded directly within the MCMC inference loop while preserving posterior structure. Using a fully Bayesian inverse formulation of quasi-one-dimensional nozzle flow, we demonstrate that geometry parameterization plays a decisive role in identifiability and posterior conditioning, with cubic B-splines yielding stable and physically meaningful uncertainty estimates. Building on this formulation, a Deep Operator Network trained on CFD-generated data is substituted for the CFD solver within a No-U-Turn Sampler, while keeping the likelihood model, priors, and sampling configuration unchanged. Across sparse to fully observed regimes, surrogate-based inference reproduces the posterior geometry and uncertainty trends of the CFD reference. As a result of surrogate integration, total inference time is reduced to under one second, corresponding to a speedup exceeding three orders of magnitude. In addition, a direct inverse neural operator is examined as a deterministic alternative for inverse design, enabling single-shot geometry reconstruction without posterior sampling. These results demonstrate that neural operator-accelerated Bayesian inference enables practical, uncertainty-aware inverse design workflows for aerodynamic applications.
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