用随机路径方法改进物理神经网络训练,提升求解复杂方程的稳定性。
Taming the Loss Landscape of PINNs with Noisy Feynman-Kac Supervision: Operator Preconditioning and Non-Asymptotic Error Bounds

- 在部分点添加数据监督,作为算子预处理改善损失函数条件数。
- 理论证明梯度下降有限步内可达到 $L^2(Ω)$ 误差上界。
- 适用于泊松、薛定谔等难解方程,适合需高鲁棒性求解PDE的研究者。
物理信息神经网络(PINNs)在求解复杂偏微分方程(PDEs)时常出现训练慢或不收敛问题,这与底层微分算子导致的病态损失景观有关。本文在标准残差和边界损失外,于域中若干点引入逐点数据保真项,证明该监督项可作为算子级预处理器:在合适权重下,比较界保证其条件数显著小于标准PINN损失,且不依赖标签获取方式。对具有费曼-卡茨(FK)表示的广泛类PDE,我们通过蒙特卡洛平均生成标签,提出“FK-PINNs”。基于超出风险分解法,推导出使用tanh激活函数的FK-PINNs经有限步梯度下降后,在 $L^2(Ω)$ 范数下的非渐近误差上界。同时建立tanh神经网络一阶与二阶导数的伪维数界,为首次披露,具独立意义。数值实验验证了泊松、薛定谔、平均退出时间及共谋概率等问题的理论结果,表明FK-PINNs能成功求解标准PINNs严重失效的PDE。
原文摘要 · Abstract (English)
Physics-Informed Neural Networks (PINNs) often train slowly or fail to converge on challenging partial differential equations (PDEs), a behavior recently linked to severely ill-conditioned loss landscapes inherited from the underlying differential operator. We study PINNs augmented with a pointwise data-fidelity term, added at a few points in the domain to the standard residual and boundary losses. We show that this supervision term acts as an operator-level preconditioner: for suitable weights, our comparison bounds guarantee a substantially smaller condition number than under the standard PINN loss, independently of how the pointwise labels are obtained. For a broad class of PDEs admitting a Feynman-Kac (FK) representation, we generate such labels by Monte Carlo averages of the FK functional, resulting in what we call ``FK-PINNs", and using the excess risk decomposition approach, we derive non-asymptotic $L^2(Ω)$-error bounds for FK-PINNs with $\tanh$ activation trained by finitely many steps of gradient descent. Along the way, we establish pseudo-dimension bounds for first- and second-order derivatives of $\tanh$ neural networks, which are of independent interest and, to the best of our knowledge, new. Numerical experiments on Poisson, Schrödinger, mean exit time, and committor problems corroborate the theory, and show that FK-PINNs can successfully solve PDEs for which standard PINNs exhibit severe failure modes.
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