arXiv:2603.16583cs.LG2026-03

优化时间重参数化,让机器学习更稳定地模拟复杂动态系统。

Trajectory-Optimized Time Reparameterization for Learning-Compatible Reduced-Order Modeling of Stiff Dynamical Systems

  • 将时间重参数化建模为弧长坐标下的优化问题,提升训练稳定性。
  • 在三类刚性系统上实现损失降低一到两个数量级,预测更准确。
  • 适合需要高效、稳定建模多尺度动力系统的研究人员使用。

刚性动力系统给机器学习降阶模型(ML-ROMs)带来挑战:显式时间积分在刚性条件下不稳定,而隐式积分在学习循环中计算成本高且降低训练效率。时间重参数化(TR)通过变换自变量,将快速物理时间瞬态拉伸至扩展时间坐标,使显式积分在均匀采样网格上保持稳定。尽管已有多种TR策略,其对ML-ROM可学习性的影响仍不明确。本文研究了TR作为神经微分方程降阶建模中的刚性缓解机制,并提出轨迹优化的TR(TOTR)。该方法将时间重参数化转化为弧长坐标下的优化问题,通过惩罚扩展时间中的加速度来选择遍历速度分布。通过提升训练动态的平滑性,所得重参数化轨迹更利于学习,比现有方法更具条件性。在三个刚性问题上验证:参数化线性系统、van der Pol振子和HIRES化学动力学模型。所有案例中,该方法均产生更平滑的重参数化轨迹,在相同训练设置下物理时间预测更优。定量结果显示,相比基准算法,损失降低一到两个数量级。结果表明,有效刚性缓解依赖于时间映射本身的规律性和可学习性,基于优化的TR为多尺度动力系统的显式降阶建模提供了稳健框架。

原文摘要 · Abstract (English)

Stiff dynamical systems present a challenge for machine-learning reduced-order models (ML-ROMs), as explicit time integration becomes unstable in stiff regimes while implicit integration within learning loops is computationally expensive and often degrades training efficiency. Time reparameterization (TR) offers an alternative by transforming the independent variable so that rapid physical-time transients are spread over a stretched-time coordinate, enabling stable explicit integration on uniformly sampled grids. Although several TR strategies have been proposed, their effect on learnability in ML-ROMs remains incompletely understood. This work investigates time reparameterization as a stiffness-mitigation mechanism for neural ODE reduced-order modeling and introduces a trajectory-optimized TR (TOTR) formulation. The proposed approach casts time reparameterization as an optimization problem in arc-length coordinates, in which a traversal-speed profile is selected to penalize acceleration in stretched time. By targeting the smoothness of the training dynamics, this formulation produces reparameterized trajectories that are better conditioned and easier to learn than existing TR methods. TOTR is evaluated on three stiff problems: a parameterized stiff linear system, the van der Pol oscillator, and the HIRES chemical kinetics model. Across all cases, the proposed approach yields smoother reparameterizations and improved physical-time predictions under identical training regimens than other TR approaches. Quantitative results demonstrate loss reductions of one to two orders of magnitude compared to benchmark algorithms. These results highlight that effective stiffness mitigation in ML-ROMs depends critically on the regularity and learnability of the time map itself, and that optimization-based TR provides a robust framework for explicit reduced-order modeling of multiscale dynamical systems.

降阶建模神经ODE刚性系统时间重参数

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