用混合高斯变分自编码器提取物理可解释的低维表示
Physically Interpretable Representation Learning with Gaussian Mixture Variational AutoEncoder (GM-VAE)
- 采用交替优化策略,稳定训练并让潜在空间聚类对应不同物理状态
- 在三类复杂数据上实现平滑且物理一致的潜在流形与精准聚类
- 适合研究湍流、燃烧等复杂物理系统的科学家使用
从高维科学数据中提取紧凑且物理可解释的表示始终面临挑战,源于物理系统固有的复杂非线性结构。本文提出一种基于期望最大化(EM)启发的训练方案的高斯混合变分自编码器(GM-VAE),通过块坐标下降交替执行期望与最大化步骤,稳定训练过程,并使潜在聚类自然对齐于不同的物理态。为客观评估表示质量,引入基于图拉普拉斯平滑性的定量可解释性度量,衡量物理量在潜在流形上的一致性。在表面反应常微分方程、纳维-斯托克斯尾流和实验激光诱导燃烧阴影图像三类递增复杂度的数据集上验证了该方法的有效性。结果表明,GM-VAE能够生成平滑、物理一致的潜在流形,并实现准确的物态聚类,为湍流与反应流系统的数据驱动分析提供可靠工具。
原文摘要 · Abstract (English)
Extracting compact, physically interpretable representations from high-dimensional scientific data is a persistent challenge due to the complex, nonlinear structures inherent in physical systems. We propose a Gaussian Mixture Variational Autoencoder (GM-VAE) framework designed to address this by integrating an Expectation-Maximization (EM)-inspired training scheme with a novel spectral interpretability metric. Unlike conventional VAEs that jointly optimize reconstruction and clustering (often leading to training instability), our method utilizes a block-coordinate descent strategy, alternating between expectation and maximization steps. This approach stabilizes training and naturally aligns latent clusters with distinct physical regimes. To objectively evaluate the learned representations, we introduce a quantitative metric based on graph-Laplacian smoothness, which measures the coherence of physical quantities across the latent manifold. We demonstrate the efficacy of this framework on datasets of increasing complexity: surface reaction ODEs, Navier-Stokes wake flows, and experimental laser-induced combustion Schlieren images. The results show that our GM-VAE yields smooth, physically consistent manifolds and accurate regime clustering, offering a robust data-driven tool for interpreting turbulent and reactive flow systems.
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