arXiv:2503.07070cs.LGcs.AI2025-03ICLR被引 6

用物理神经网络优化实验设计,一次部署就能高效解反问题。

PIED: Physics-Informed Experimental Design for Inverse Problems

  • 基于物理信息神经网络构建端到端可微实验设计框架
  • 在有限观测预算下,显著提升反问题求解精度,尤其适合参数为函数的情况
  • 支持单次部署,避免反复调参,适用于真实实验场景

在众多科学与工程场景中,系统动态由控制偏微分方程(PDE)描述,核心挑战在于反问题(IP),即在有限预算下通过观测数据推断未知的PDE参数。由于实验设置和运行成本高昂,通常依赖PDE模拟进行实验设计(ED),以优化最有效的设计参数,再开展实际数据采集。当预算和实际条件不允许在实验中调整设计参数时,这一前期优化尤为关键。然而,现有方法多需频繁迭代调整参数,且受限于复杂数值模拟带来的计算瓶颈,未充分利用物理信息神经网络(PINNs)的无网格解、可微性和参数化训练优势。本文提出PIED,首个将PINNs嵌入全可微架构的实验设计框架,实现反问题中设计参数的一次性连续优化。通过并行计算与PINN初始化元学习克服计算瓶颈,并创新性地将PINN训练动态纳入设计优化过程。在含噪声仿真数据及真实实验数据上的实验表明,在有限观测预算下,PIED显著优于现有方法,尤其在反参数为函数而非有限维参数的挑战性场景中表现突出。

原文摘要 · Abstract (English)

In many science and engineering settings, system dynamics are characterized by governing PDEs, and a major challenge is to solve inverse problems (IPs) where unknown PDE parameters are inferred based on observational data gathered under limited budget. Due to the high costs of setting up and running experiments, experimental design (ED) is often done with the help of PDE simulations to optimize for the most informative design parameters to solve such IPs, prior to actual data collection. This process of optimizing design parameters is especially critical when the budget and other practical constraints make it infeasible to adjust the design parameters between trials during the experiments. However, existing experimental design (ED) methods tend to require sequential and frequent design parameter adjustments between trials. Furthermore, they also have significant computational bottlenecks due to the need for complex numerical simulations for PDEs, and do not exploit the advantages provided by physics informed neural networks (PINNs), such as its meshless solutions, differentiability, and amortized training. This work presents PIED, the first ED framework that makes use of PINNs in a fully differentiable architecture to perform continuous optimization of design parameters for IPs for one-shot deployments. PIED overcomes existing methods' computational bottlenecks through parallelized computation and meta-learning of PINN parameter initialization, and proposes novel methods to effectively take into account PINN training dynamics in optimizing the ED parameters. Through experiments based on noisy simulated data and even real world experimental data, we empirically show that given limited observation budget, PIED significantly outperforms existing ED methods in solving IPs, including challenging settings where the inverse parameters are unknown functions rather than just finite-dimensional.

反问题实验设计物理信息网络可微优化

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