arXiv:2508.08863cs.LGstat.AP2025-08

用生成模型设计液流电池流道,兼顾创新与可解释性。

Flow Battery Manifold Design with Heterogeneous Inputs Through Generative Adversarial Neural Networks

  • 构建异构输入的原型数据集,支撑生成模型训练
  • 结合贝叶斯优化,实现对可行设计方案空间的有效探索
  • 适合系统设计与生成式AI交叉领域的研究者参考

生成式机器学习已成为设计表征与探索的强大工具。然而,其应用常受限于对大量现有设计数据集的需求以及对最优性驱动特征缺乏可解释性。为此,我们提出一种系统性框架,用于构建适配生成模型的训练数据集,并展示如何利用这些模型实现可解释的设计。本工作创新之处在于:(i) 提出一种生成具有内部同质但彼此异构输入的原型的方法,可用于构建训练数据集;(ii) 展示将生成模型与贝叶斯优化结合,可增强可接受设计方案潜在空间的可解释性。该框架应用于液流电池流道设计,验证了其能有效捕捉可行设计空间,包括新型配置,并实现高效探索。本研究通过提升质量与可靠性,拓展了生成式机器学习在系统设计中的适用范围。

原文摘要 · Abstract (English)

Generative machine learning has emerged as a powerful tool for design representation and exploration. However, its application is often constrained by the need for large datasets of existing designs and the lack of interpretability about what features drive optimality. To address these challenges, we introduce a systematic framework for constructing training datasets tailored to generative models and demonstrate how these models can be leveraged for interpretable design. The novelty of this work is twofold: (i) we present a systematic framework for generating archetypes with internally homogeneous but mutually heterogeneous inputs that can be used to generate a training dataset, and (ii) we show how integrating generative models with Bayesian optimization can enhance the interpretability of the latent space of admissible designs. These findings are validated by using the framework to design a flow battery manifold, demonstrating that it effectively captures the space of feasible designs, including novel configurations while enabling efficient exploration. This work broadens the applicability of generative machine-learning models in system designs by enhancing quality and reliability.

生成模型系统设计液流电池可解释性

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