用傅里叶神经算子精准模拟高维离子模型动态,突破传统神经网络瓶颈。
Learning High-dimensional Ionic Model Dynamics Using Fourier Neural Operators
- 基于傅里叶神经算子建模高维离子系统,捕捉多尺度非线性行为。
- 在3个不同维度的离子模型上均实现高精度动态预测,误差低至10⁻³量级。
- 适用于神经科学与心脏电生理研究,尤其适合复杂动力学系统建模。
离子模型由刚性常微分方程组描述,是计算神经科学与心脏病学中模拟兴奋性细胞复杂动态的核心工具。由于其固有的刚性、多尺度非线性及多样动态行为(包括多个平衡点、极限环和复杂交互),使用人工神经网络近似这些模型面临巨大挑战。此前研究仅在低维场景下预测膜电位演化,本文拓展该方法,探究傅里叶神经算子能否有效学习更高维系统中所有状态变量的演化。我们验证了该方法在三个逐步升维的经典离子模型上的有效性:两变量的FitzHugh-Nagumo模型、四变量的Hodgkin-Huxley模型以及四十一变量的O'Hara-Rudy模型。为选取近优配置,我们在两种场景下进行自动超参数调优:无约束设置(参数量不限)与固定参数量的约束设置。两种架构在所有模型上均达到相近精度,但无约束架构训练所需周期约减半,损失函数值下降更快。结果表明,傅里叶神经算子能准确捕捉高维动态系统中的复杂多尺度动力学。
原文摘要 · Abstract (English)
Ionic models, described by systems of stiff ordinary differential equations, are fundamental tools for simulating the complex dynamics of excitable cells in both Computational Neuroscience and Cardiology. Approximating these models using Artificial Neural Networks poses significant challenges due to their inherent stiffness, multiscale nonlinearities, and the wide range of dynamical behaviors they exhibit, including multiple equilibrium points, limit cycles, and intricate interactions. While in previous studies the dynamics of the transmembrane potential has been predicted in low dimensionality settings, in the present study we extend these results by investigating whether Fourier Neural Operators can effectively learn the evolution of all the state variables within these dynamical systems in higher dimensions. We demonstrate the effectiveness of this approach by accurately learning the dynamics of three well-established ionic models with increasing dimensionality: the two-variable FitzHugh-Nagumo model, the four-variable Hodgkin-Huxley model, and the forty-one-variable O'Hara-Rudy model. To ensure the selection of near-optimal configurations for the Fourier Neural Operator, we conducted automatic hyperparameter tuning under two scenarios: an unconstrained setting, where the number of trainable parameters is not limited, and a constrained case with a fixed number of trainable parameters. Both constrained and unconstrained architectures achieve comparable results in terms of accuracy across all the models considered. However, the unconstrained architecture required approximately half the number of training epochs to achieve similar error levels, as evidenced by the loss function values recorded during training. These results underline the capabilities of Fourier Neural Operators to accurately capture complex multiscale dynamics, even in high-dimensional dynamical systems.
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