{"title":"AutoEncoders latent space interpretability in the light of proper orthogonal decomposition: Machine learning of periodically forced fluid flows","authors":"Rémi Bousquet, Caroline Nore, Didier Lucor","doi":"10.1016/j.cpc.2025.109728","DOIUrl":null,"url":null,"abstract":"<div><div>This work explores the learning and interpretability challenges of Autoencoders (AEs) and Variational Autoencoders (VAEs) when applied to the reconstruction of dynamic velocity fields governed by the Navier-Stokes equations. Throughout model training, the emphasis is on understanding how flow features are encoded into the latent space and how this impacts the interpretability and usability of the models. Based on a parametric study of forced flows, i.e. flows around an oscillating cylinder, as well as a von Kármán swirling flow, we first investigate the trade-offs between reconstruction accuracy and regularization in VAEs. We confirm that increasing the regularization parameter degrades reconstruction quality, which underscores a significant limitation of the Gaussian prior from this point of vue. A comparative analysis reveals that standard AEs exhibit quite robust training behaviour, while VAEs show a sharper transition between non-learning and learning regimes, depending on the amount of regularization. By leveraging Proper Orthogonal Decomposition (POD) to identify characteristic flow structures and frequencies, we establish connections between latent space organisations and POD modes. To address the interpretability challenge, we then perform a symmetry analysis of latent spaces, stating equivariance relations between latent and physical variables. Despite reduced reconstruction precision, VAEs show greater fidelity in preserving these relationships. Building on this, we propose a clustering-inspired method to interpret latent representations, identifying characteristic states from temporal POD time coefficients to provide deeper insights into latent space structure and untangling. This work highlights pathways for autoencoder's analysis methodological advancements, emphasizing the critical need to align latent space representations with physical interpretation for broader applicability in fluid dynamics.</div></div>","PeriodicalId":285,"journal":{"name":"Computer Physics Communications","volume":"315 ","pages":"Article 109728"},"PeriodicalIF":7.2000,"publicationDate":"2025-07-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":null,"platform":"Semanticscholar","paperid":null,"PeriodicalName":"Computer Physics Communications","FirstCategoryId":"101","ListUrlMain":"https://www.sciencedirect.com/science/article/pii/S0010465525002309","RegionNum":2,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q1","JCRName":"COMPUTER SCIENCE, INTERDISCIPLINARY APPLICATIONS","Score":null,"Total":0}
引用次数: 0
Abstract
This work explores the learning and interpretability challenges of Autoencoders (AEs) and Variational Autoencoders (VAEs) when applied to the reconstruction of dynamic velocity fields governed by the Navier-Stokes equations. Throughout model training, the emphasis is on understanding how flow features are encoded into the latent space and how this impacts the interpretability and usability of the models. Based on a parametric study of forced flows, i.e. flows around an oscillating cylinder, as well as a von Kármán swirling flow, we first investigate the trade-offs between reconstruction accuracy and regularization in VAEs. We confirm that increasing the regularization parameter degrades reconstruction quality, which underscores a significant limitation of the Gaussian prior from this point of vue. A comparative analysis reveals that standard AEs exhibit quite robust training behaviour, while VAEs show a sharper transition between non-learning and learning regimes, depending on the amount of regularization. By leveraging Proper Orthogonal Decomposition (POD) to identify characteristic flow structures and frequencies, we establish connections between latent space organisations and POD modes. To address the interpretability challenge, we then perform a symmetry analysis of latent spaces, stating equivariance relations between latent and physical variables. Despite reduced reconstruction precision, VAEs show greater fidelity in preserving these relationships. Building on this, we propose a clustering-inspired method to interpret latent representations, identifying characteristic states from temporal POD time coefficients to provide deeper insights into latent space structure and untangling. This work highlights pathways for autoencoder's analysis methodological advancements, emphasizing the critical need to align latent space representations with physical interpretation for broader applicability in fluid dynamics.
期刊介绍:
The focus of CPC is on contemporary computational methods and techniques and their implementation, the effectiveness of which will normally be evidenced by the author(s) within the context of a substantive problem in physics. Within this setting CPC publishes two types of paper.
Computer Programs in Physics (CPiP)
These papers describe significant computer programs to be archived in the CPC Program Library which is held in the Mendeley Data repository. The submitted software must be covered by an approved open source licence. Papers and associated computer programs that address a problem of contemporary interest in physics that cannot be solved by current software are particularly encouraged.
Computational Physics Papers (CP)
These are research papers in, but are not limited to, the following themes across computational physics and related disciplines.
mathematical and numerical methods and algorithms;
computational models including those associated with the design, control and analysis of experiments; and
algebraic computation.
Each will normally include software implementation and performance details. The software implementation should, ideally, be available via GitHub, Zenodo or an institutional repository.In addition, research papers on the impact of advanced computer architecture and special purpose computers on computing in the physical sciences and software topics related to, and of importance in, the physical sciences may be considered.