arXiv:2410.10137cs.LGmath.DG2024-10被引 1

用几何流控制潜在空间,提升VAE对偏微分方程数据的建模能力

Variational autoencoders with latent high-dimensional steady geometric flows for dynamics

  • 引入动态潜在流,通过黎曼几何约束学习高维潜在结构
  • 在部分数据集上将分布外误差降低15%至35%,优于传统VAE
  • 适合处理具有稳定演化特性的物理系统数据,如时序偏微分方程

我们提出基于黎曼几何的变分自编码器(VAE-DLM),用于具有规律性动力学特征的偏微分方程型环境数据。该方法在编码器与解码器构建的潜在空间中学习嵌入欧氏空间的流形几何结构,并通过设计特定几何流来诱导所需潜在几何特性,反映在实际性能中。通过合理选择先验,重构传统证据下界(ELBO)损失函数,采用线性几何流并引入稳态正则项。该流仅需一次时间导数的自动微分,可在中等高维情形下以物理信息方式求解,实现更丰富的潜在表示。我们将其形式化为梯度流,保持熵远离度量奇异点。结合特征值惩罚条件,确保流形测度充分、非退化且具规范几何,提升表示鲁棒性。采用tanh激活的多层感知机架构进行实验,结果表明该方法至少达到传统VAE性能,常有超越;在若干数据集上,可使分布外(OOD)误差减少15%至35%。特别适用于解在后期变化极小的环境型偏微分方程,为外部动力学的鲁棒学习提供实证支持。

原文摘要 · Abstract (English)

We develop Riemannian approaches to variational autoencoders (VAEs) for PDE-type ambient data with regularizing geometric latent dynamics, which we refer to as VAE-DLM, or VAEs with dynamical latent manifolds. We redevelop the VAE framework such that manifold geometries, subject to our geometric flow, embedded in Euclidean space are learned in the intermediary latent space developed by encoders and decoders. By tailoring the geometric flow in which the latent space evolves, we induce latent geometric properties of our choosing, which are reflected in empirical performance. We reformulate the traditional evidence lower bound (ELBO) loss with a considerate choice of prior. We develop a linear geometric flow with a steady-state regularizing term. This flow requires only automatic differentiation of one time derivative, and can be solved in moderately high dimensions in a physics-informed approach, allowing more expressive latent representations. We discuss how this flow can be formulated as a gradient flow, and maintains entropy away from metric singularity. This, along with an eigenvalue penalization condition, helps ensure the manifold is sufficiently large in measure, nondegenerate, and a canonical geometry, which contribute to a robust representation. Our methods focus on the modified multi-layer perceptron architecture with tanh activations for the manifold encoder-decoder. We demonstrate, on our datasets of interest, our methods perform at least as well as the traditional VAE, and oftentimes better. Our methods can outperform this and a VAE endowed with our proposed architecture, frequently reducing out-of-distribution (OOD) error between 15% to 35% on select datasets. We highlight our method on ambient PDEs whose solutions maintain minimal variation in late times. We provide empirical justification towards how we can improve robust learning for external dynamics with VAEs.

变分自编码器几何流偏微分方程潜在表示

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