Accelerating Neural ODEs: A Variational Formulation-based Approach
Keywords: Neural ordinary differential equations, irregularly-sampled dynamical systems, variational formulation, acceleration
TL;DR: We propose a novel approach based on variational formulation (VF) to accelerate the training of Neural ODEs for dynamical systems.
Abstract: Neural Ordinary Differential Equations (Neural ODEs or NODEs) excel at modeling continuous dynamical systems from observational data, especially when the data is irregularly sampled. However, existing training methods predominantly rely on numerical ODE solvers, which are time-consuming and prone to accumulating numerical errors over time due to autoregression. In this work, we propose VF-NODE, a novel approach based on the variational formulation (VF) to accelerate the training of NODEs. Unlike existing training methods, the proposed VF-NODEs implement a series of global integrals, thus evaluating Deep Neural Network (DNN)--based vector fields only at specific observed data points. This strategy drastically reduces the number of function evaluations (NFEs). Moreover, our method eliminates the use of autoregression, thereby reducing error accumulations for modeling dynamical systems. Nevertheless, the VF loss introduces oscillatory terms into the integrals when using the Fourier basis. We incorporate Filon's method to address this issue. To further enhance the performance for noisy and incomplete data, we employ the natural cubic spline regression to estimate a closed-form approximation. We provide a fundamental analysis of how our approach minimizes computational costs. Extensive experiments demonstrate that our approach accelerates NODE training by 10 to 1000 times compared to existing NODE-based methods, while achieving higher or comparable accuracy in dynamical systems. The code is available at https://github.com/ZhaoHongjue/VF-NODE-ICLR2025.
Primary Area: applications to physical sciences (physics, chemistry, biology, etc.)
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Submission Number: 5420
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