arXiv:2412.20962cs.LGcs.AI2024-12KDD被引 11

让图神经网络遵守物理守恒律,用少量数据精准预测时空动态。

Conservation-informed Graph Learning for Spatiotemporal Dynamics Prediction

  • 基于对称性设计网络,强制满足普遍守恒定律。
  • 在合成与真实数据上均超越基线模型,泛化能力强。
  • 适合复杂几何空间中稀缺标注数据的时空预测任务。

以数据为中心的方法在理解与预测时空动力学方面展现出巨大潜力,有助于优化系统设计与控制。然而,深度学习模型常缺乏可解释性,难以遵循内在物理规律,且难以适应不同领域。尽管基于几何的方法(如图神经网络,GNN)被提出以应对这些挑战,但仍需从大规模数据中隐式挖掘物理规律,并过度依赖丰富标注数据。本文提出一种端到端可解释的学习框架——守恒信息图神经网络(CiGNN),基于有限训练数据学习时空动力学。该网络通过对称性设计,使保守与非保守信息在多尺度空间中传递,并借助潜在时间推进策略增强表达能力。在多种合成与真实世界数据集上的实验验证了模型的有效性,结果表明CiGNN在准确性与泛化能力上均优于基准模型,可直接应用于复杂几何空间中各类时空动力学的预测学习。

原文摘要 · Abstract (English)

Data-centric methods have shown great potential in understanding and predicting spatiotemporal dynamics, enabling better design and control of the object system. However, deep learning models often lack interpretability, fail to obey intrinsic physics, and struggle to cope with the various domains. While geometry-based methods, e.g., graph neural networks (GNNs), have been proposed to further tackle these challenges, they still need to find the implicit physical laws from large datasets and rely excessively on rich labeled data. In this paper, we herein introduce the conservation-informed GNN (CiGNN), an end-to-end explainable learning framework, to learn spatiotemporal dynamics based on limited training data. The network is designed to conform to the general conservation law via symmetry, where conservative and non-conservative information passes over a multiscale space enhanced by a latent temporal marching strategy. The efficacy of our model has been verified in various spatiotemporal systems based on synthetic and real-world datasets, showing superiority over baseline models. Results demonstrate that CiGNN exhibits remarkable accuracy and generalizability, and is readily applicable to learning for prediction of various spatiotemporal dynamics in a spatial domain with complex geometry.

图神经网络物理信息时空预测

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