用自适应残差改进神经微分方程,让生物系统模拟更准更快。
Physics-Informed Neural ODEs with Scale-Aware Residuals for Learning Stiff Biophysical Dynamics
- 引入尺度感知残差,平衡快慢变量贡献,稳定训练
- 仅用一次振荡数据,预测超100毫秒,频率和振幅都准
- 适合需要高精度建模的生物动力学研究者
神经微分方程为建模连续时间动态提供了强大框架,但对刚性生物物理系统的预测仍不可靠。标准神经微分方程及物理信息变体常需数倍迭代次数,且仍可能收敛到次优解,无法保持振荡频率或振幅。我们提出物理信息神经微分方程结合尺度感知残差(PI-NODE-SR),采用低阶显式求解器(Heun方法)与残差归一化,平衡在不同时间尺度上演化的状态变量贡献。该组合在真实迭代预算下稳定训练,避免依赖计算成本高的隐式求解器。在霍奇金-赫胥黎方程上,PI-NODE-SR仅用单次振荡(由刚性求解器Rodas5P生成)数据,即可外推超过100毫秒,准确捕捉振荡频率和近似正确振幅。令人惊讶的是,端到端向量场学习使模型恢复了如门控变量的尖锐亚阈值曲率等形态特征,这些通常需高阶求解器才能保留,表明神经校正可弥补数值扩散。尽管性能受初始化影响,但相对于基线神经微分方程和物理信息网络,PI-NODE-SR始终显著降低长时程误差,为刚性生物动态的稳定高效学习提供了一条合理路径。
原文摘要 · Abstract (English)
Neural differential equations offer a powerful framework for modeling continuous-time dynamics, but forecasting stiff biophysical systems remains unreliable. Standard Neural ODEs and physics informed variants often require orders of magnitude more iterations, and even then may converge to suboptimal solutions that fail to preserve oscillatory frequency or amplitude. We introduce PhysicsInformed Neural ODEs with with Scale-Aware Residuals (PI-NODE-SR), a framework that combines a low-order explicit solver (Heun method) residual normalisation to balance contributions between state variables evolving on disparate timescales. This combination stabilises training under realistic iteration budgets and avoids reliance on computationally expensive implicit solvers. On the Hodgkin-Huxley equations, PI-NODE-SR learns from a single oscillation simulated with a stiff solver (Rodas5P) and extrapolates beyond 100 ms, capturing both oscillation frequency and near-correct amplitudes. Remarkably, end-to-end learning of the vector field enables PI-NODE-SR to recover morphological features such as sharp subthreshold curvature in gating variables that are typically reserved for higher-order solvers, suggesting that neural correction can offset numerical diffusion. While performance remains sensitive to initialisation, PI-NODE-SR consistently reduces long-horizon errors relative to baseline Neural-ODEs and PINNs, offering a principled route to stable and efficient learning of stiff biological dynamics.
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