提出新优化方法,让物理信息神经网络更稳定地求解偏微分方程。
Dual Cone Gradient Descent for Training Physics-Informed Neural Networks
- 通过双锥区域约束梯度方向,解决损失梯度失衡问题。
- 在多个基准方程上显著提升预测精度与训练稳定性。
- 适合研究科学计算中复杂偏微分方程的求解者使用。
物理信息神经网络(PINNs)通过最小化包含边界损失和方程残差损失的联合损失函数来求解偏微分方程(PDEs)。尽管其在多种科学计算任务中表现优异,但常出现不合理解,且这类异常行为难以解释和修复。本文发现,当两类损失的梯度幅度差异大且内积为负时,训练会恶化。为此,提出双锥梯度下降(DCGD)框架,将更新梯度方向限制在与两梯度内积非负的双锥区域内。理论上分析了非凸设置下的收敛性。在多个基准方程上验证,DCGD在各项评估指标上均优于其他优化算法。尤其在典型失败模式和复杂PDE场景中,显著提升预测准确性和训练稳定性,优于现有最优调参模型。此外,结合学习率衰减和神经正切核(NTK)策略可进一步提升性能。
原文摘要 · Abstract (English)
Physics-informed neural networks (PINNs) have emerged as a prominent approach for solving partial differential equations (PDEs) by minimizing a combined loss function that incorporates both boundary loss and PDE residual loss. Despite their remarkable empirical performance in various scientific computing tasks, PINNs often fail to generate reasonable solutions, and such pathological behaviors remain difficult to explain and resolve. In this paper, we identify that PINNs can be adversely trained when gradients of each loss function exhibit a significant imbalance in their magnitudes and present a negative inner product value. To address these issues, we propose a novel optimization framework, Dual Cone Gradient Descent (DCGD), which adjusts the direction of the updated gradient to ensure it falls within a dual cone region. This region is defined as a set of vectors where the inner products with both the gradients of the PDE residual loss and the boundary loss are non-negative. Theoretically, we analyze the convergence properties of DCGD algorithms in a non-convex setting. On a variety of benchmark equations, we demonstrate that DCGD outperforms other optimization algorithms in terms of various evaluation metrics. In particular, DCGD achieves superior predictive accuracy and enhances the stability of training for failure modes of PINNs and complex PDEs, compared to existing optimally tuned models. Moreover, DCGD can be further improved by combining it with popular strategies for PINNs, including learning rate annealing and the Neural Tangent Kernel (NTK).
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