用信息论揭示自编码器如何简化刚性动力系统的低维流形。
Understanding the role of autoencoders for stiff dynamical systems using information theory
- 通过信息论分析自编码器编码解码过程中的互信息变化,识别出两个学习阶段。
- 发现物理空间的稀有事件在隐空间变为高概率事件,实现密度重分布。
- 为神经微分方程建模刚性反应系统提供可解释的降阶机制,适合流体力学与化学动力学研究者。
本文利用信息论深入解析深度神经网络训练下自编码器(AE)在刚性动力系统中构建隐空间的机制。先前研究[1]表明,结合神经微分方程(NODE)的自编码器作为代理降阶模型(ROM),能显著降低刚性化学反应系统的时序刚性,其效果归因于非线性投影识别出慢不变流形。本文通过引入信息论概念与更好的混合策略,揭示了该机制的本质:编码器与解码器的学习过程可通过互信息演化轨迹划分为两个阶段;物理变量与隐变量的概率密度分布对比显示,物理空间中的稀有事件经非线性映射后,在隐空间中变为高概率事件;最终,该密度重分布现象由信息论与概率理论解释,提供了对自编码器在刚性系统中有效性的理论支撑。
原文摘要 · Abstract (English)
Using the information theory, this study provides insights into how the construction of latent space of autoencoder (AE) using deep neural network (DNN) training finds a smooth low-dimensional manifold in the stiff dynamical system. Our recent study [1] reported that an autoencoder (AE) combined with neural ODE (NODE) as a surrogate reduced order model (ROM) for the integration of stiff chemically reacting systems led to a significant reduction in the temporal stiffness, and the behavior was attributed to the identification of a slow invariant manifold by the nonlinear projection of the AE. The present work offers fundamental understanding of the mechanism by employing concepts from information theory and better mixing. The learning mechanism of both the encoder and decoder are explained by plotting the evolution of mutual information and identifying two different phases. Subsequently, the density distribution is plotted for the physical and latent variables, which shows the transformation of the \emph{rare event} in the physical space to a \emph{highly likely} (more probable) event in the latent space provided by the nonlinear autoencoder. Finally, the nonlinear transformation leading to density redistribution is explained using concepts from information theory and probability.
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