arXiv:2412.03496nlin.PScs.LG2024-12中稿 · ICLR被引 1

无需方程,用神经微分方程预测复杂系统动态并自动发现关键分岔点。

TRENDy: Temporal Regression of Effective Nonlinear Dynamics

  • 通过多尺度滤波将数据映射到低维有效动力学空间
  • 用神经微分方程建模并准确预测真实与合成数据的演化轨迹
  • 可自动定位未知参数区间的图灵与霍普夫分岔,适合生物形态建模

时空动力学广泛存在于自然科学中,从动物皮毛图案形成的形态发生素动态到控制细胞分裂的蛋白质波。核心挑战在于理解可控参数如何引发系统行为的定性变化(即分岔)。这一问题在真实场景中尤为困难:微分方程未知,数据有限且含噪。为此,我们提出TRENDy(有效非线性动力学的时间回归),一种无需方程的低维、可预测模型学习方法。TRENDy首先通过一系列多尺度滤波操作将输入数据映射到低维有效动力学空间。关键洞察是:这些有效动力学可由具有与原始偏微分方程相同参数空间的神经常微分方程(NODE)拟合。前置滤波操作显著正则化了NODE的相空间,使其对噪声的鲁棒性远超现有方法。我们在涵盖物理与生命科学的合成和真实数据上训练TRENDy,用于预测有效动力学。进一步展示其可在未见参数空间中自动定位图灵与霍普夫分岔。最后,将该方法应用于角蜥发育过程中的空间图案分析。结果表明,TRENDy预测的有效状态不仅能准确预示时间上的空间变化,还能识别尾部、颈部与躯干等不同解剖区域特有的图案特征——揭示了表面几何可能影响反应-扩散机制,并驱动空间异质的图案动态。

原文摘要 · Abstract (English)

Spatiotemporal dynamics pervade the natural sciences, from the morphogen dynamics underlying patterning in animal pigmentation to the protein waves controlling cell division. A central challenge lies in understanding how controllable parameters induce qualitative changes in system behavior called bifurcations. This endeavor is particularly difficult in realistic settings where governing partial differential equations (PDEs) are unknown and data is limited and noisy. To address this challenge, we propose TRENDy (Temporal Regression of Effective Nonlinear Dynamics), an equation-free approach to learning low-dimensional, predictive models of spatiotemporal dynamics. TRENDy first maps input data to a low-dimensional space of effective dynamics through a cascade of multiscale filtering operations. Our key insight is the recognition that these effective dynamics can be fit by a neural ordinary differential equation (NODE) having the same parameter space as the input PDE. The preceding filtering operations strongly regularize the phase space of the NODE, making TRENDy significantly more robust to noise compared to existing methods. We train TRENDy to predict the effective dynamics of synthetic and real data representing dynamics from across the physical and life sciences. We then demonstrate how we can automatically locate both Turing and Hopf bifurcations in unseen regions of parameter space. We finally apply our method to the analysis of spatial patterning of the ocellated lizard through development. We found that TRENDy's predicted effective state not only accurately predicts spatial changes over time but also identifies distinct pattern features unique to different anatomical regions, such as the tail, neck, and body--an insight that highlights the potential influence of surface geometry on reaction-diffusion mechanisms and their role in driving spatially varying pattern dynamics.

动力系统神经ODE模式形成分岔检测

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