arXiv:2502.06848cs.LGcs.AI2025-02

用预训练+迁移学习,让图神经网络物理模拟器用更少数据跑得更快更准。

Transfer learning in Scalable Graph Neural Network for Improved Physical Simulation

  • 先在大量3D物体上预训练,再迁移到目标任务微调。
  • 仅用1/16数据微调,位置误差比从头训练低11.05%。
  • 创新池化与参数映射,适配不同网格规模的模型迁移。

近年来,基于图神经网络(GNN)的模型在复杂系统物理模拟中展现出良好效果。然而,训练专用图网络物理模拟器成本高昂,因多数模型依赖全监督训练,需大量传统物理模拟生成的数据。目前,迁移学习如何提升模型性能与训练效率仍不明确。本文提出一种图网络模拟器的预训练与迁移学习范式,设计可扩展图U-net(SGUNET),引入深度优先搜索(DFS)池化,使其适应不同网格尺寸与分辨率的模拟任务。为实现不同配置的SGUNET间迁移,提出一组参数映射函数,并在损失中加入归一化项以约束预训练权重与目标模型权重差异,提升泛化能力。为预训练构建包含20,000次随机3D形状物理模拟的数据集(来自开源ABC数据集)。实验表明,使用迁移学习微调的模型,在少量训练数据下表现优于从头训练的完整数据模型。在2D可变形板基准数据集上,仅使用1/16训练数据微调,位置均方根误差(RMSE)降低11.05%。

原文摘要 · Abstract (English)

In recent years, Graph Neural Network (GNN) based models have shown promising results in simulating physics of complex systems. However, training dedicated graph network based physics simulators can be costly, as most models are confined to fully supervised training, which requires extensive data generated from traditional physics simulators. To date, how transfer learning could improve the model performance and training efficiency has remained unexplored. In this work, we introduce a pre-training and transfer learning paradigm for graph network simulators. We propose the scalable graph U-net (SGUNET). Incorporating an innovative depth-first search (DFS) pooling, the SGUNET is adaptable to different mesh sizes and resolutions for various simulation tasks. To enable the transfer learning between differently configured SGUNETs, we propose a set of mapping functions to align the parameters between the pre-trained model and the target model. An extra normalization term is also added into the loss to constrain the difference between the pre-trained weights and target model weights for better generalization performance. To pre-train our physics simulator we created a dataset which includes 20,000 physical simulations of randomly selected 3D shapes from the open source A Big CAD (ABC) dataset. We show that our proposed transfer learning methods allow the model to perform even better when fine-tuned with small amounts of training data than when it is trained from scratch with full extensive dataset. On the 2D Deformable Plate benchmark dataset, our pre-trained model fine-tuned on 1/16 of the training data achieved an 11.05\% improvement in position RMSE compared to the model trained from scratch.

图神经网络物理模拟迁移学习可扩展性

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