arXiv:2603.00092physics.comp-phcond-mat.mtrl-sci2026-03

对比Transformer与RNN在短纤复合材料建模中的表现,发现小数据下RNN更准,大模型下Transformer更快。

A comparative study of transformer models and recurrent neural networks for path-dependent composite materials

  • 用贝叶斯优化调参,比较RNN与Transformer对复合材料的路径依赖响应预测能力
  • 小数据集上RNN精度更高,且外推性能显著优于Transformer
  • Transformer推理速度快7倍(0.5毫秒/次),适合实时应用

短纤维增强复合材料(SFRCs)的全场仿真计算成本高昂。基于人工神经网络(ANN)的数据驱动代理模型为数值模拟提供了高效替代方案,其中循环神经网络(RNN)被用于路径依赖的多尺度建模,通过预测代表性体积元(RVE)的均质响应实现。然而,近期发展的Transformer模型具备更好的可扩展性和并行效率,但尚未在该领域与RNN进行系统比较。本研究对基于SFRC RVE均质响应序列训练的RNN与Transformer模型进行了系统性对比。我们研究了两类超参数的影响:架构超参数(如GRU层数、隐藏层大小、注意力头数、编码器块数)和训练超参数(如学习率、批量大小),并通过贝叶斯优化进行调优。进一步分析了数据集规模与推理准确率之间的缩放规律,在插值和外推场景下评估性能。结果表明,尽管在大数据集上变压器模型保持竞争力,但小数据集上RNN表现出更高精度,并展现出更优的外推能力。尤其在外推情况下,RNN保持高准确性,而变压器模型性能明显下降。另一方面,变压器模型推理速度提升7倍,每次预测仅需0.5毫秒,远快于RNN的3.5毫秒。

原文摘要 · Abstract (English)

Accurate modeling of Short Fiber Reinforced Composites (SFRCs) remains computationally expensive for full-field simulations. Data-driven surrogate models using Artificial Neural Networks (ANNs) have been proposed as an efficient alternative to numerical modeling, where Recurrent Neural Networks (RNNs) are increasingly being used for path-dependent multiscale modeling by predicting the homogenized response of a Representative Volume Element (RVE). However, recently, transformer models have been developed and they offer scalability and efficient parallelization, yet have not been systematically compared with RNNs in this field. In this study, we perform a systematic comparison between RNNs and transformer models trained on sequences of homogenized response of SFRC RVEs. We study the effect on two types of hyperparameters, namely architectural hyperparameters (such as the number of GRU layers, hidden size, number of attention heads, and encoder blocks) and training hyperparameters (such as learning rate and batch size). Both sets of hyperparameters are tuned using Bayesian optimization. We then analyze scaling laws with respect to dataset size and inference accuracy in interpolation and extrapolation regimes. The results show that while transformer models remain competitive in terms of accuracy on large datasets, the RNNs demonstrate better accuracy on small datasets and show better extrapolation performance. Furthermore, under extrapolation, there is a clear difference, where the RNN remains accurate, while the transformer model performs poorly. On the other hand, the transformer model is 7 times faster at inference, requiring 0.5 ms per prediction compared to the 3.5 ms per prediction for the RNN model.

复合材料RNNTransformer建模

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