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中文核心期刊

基于离散单元法模拟颗粒流的图神经网络计算加速方法

GRAPH NEURAL NETWORKS ACCELERATED GRANULAR FLOW BASED ON DISCRETE ELEMENT METHOD

  • 摘要: 本研究旨在探索一种基于图神经网络(GNN)加速离散元法(DEM)计算的新模型, 以提高颗粒流模拟的计算效率和精度. 传统DEM方法尽管精确, 但计算耗时长. GNN具有模拟DEM的天然优势, 在GNN中颗粒表示为节点, 颗粒的相互作用表示为边. 提出的加速模型包含了两个GNN, 分别是颗粒-颗粒图神经网络(P-P GNN)和颗粒-边界图神经网络(P-W GNN), 能够分别学习颗粒-颗粒和颗粒-边界接触信息. 通过水平滚筒、倾斜滚筒和漏斗堆积3种颗粒流场景的模拟, 验证了该模型的有效性和优越性. 结果表明, 利用GNN模型能够有效地捕捉颗粒流中的复杂接触关系, 极大地提高了计算速度, 相较于传统DEM实现了约30倍的加速. 其次, 模型在不同颗粒流场景下单步预测均表现出高精度, 并且在宏观特征预测上表现优异, 能够准确预测颗粒流的休止角、温度以及重心变化等. 另外, 文章还研究了超参数对预测结果的影响, 如临界距离和GNN的层数, 合适的临界距离可以限制颗粒穿过边界, GNN的层数在3 ~ 10层对预测结果没有显著影响, 这为进一步优化GNN模型应用于颗粒流模拟提供了研究基础.

     

    Abstract: This study aims to explore a new model based on graph neural network (GNN) to accelerate discrete element method (DEM) calculations, so as to improve the computational efficiency and accuracy of granular flow simulation. Although the traditional DEM method is accurate, it is computationally expensive. GNNs have a natural advantage in simulating DEM. In the GNNs, particles are represented as nodes and the interactions between particles are represented as edges. The proposed acceleration model combined two types of GNNs, namely particle-particle graph neural network (P-P GNN) and particle-boundary graph neural network (P-W GNN), which can learn the information of particle-particle and particle-boundary contact relationships, respectively. The effectiveness and superiority of the model were verified by simulating three granular flow scenarios: horizontal roller, inclined roller, and hopper simulation. The results show that the GNN model effectively captured the complex contact relationship in granular flow, greatly improved the calculation speed, and achieved about 30 times acceleration compared with traditional DEM. Secondly, the model show high accuracy in one-step prediction under different particle flow scenarios, and performed well in the prediction of macroscopic features, and can accurately predict the angle of repose, temperature, and center of gravity changes of particles. In addition, this paper also studied the influence of hyperparameters on the prediction results, such as cutoff distance and number of GNN layers. The appropriate cutoff distance can limit particles from crossing the boundary. The number of GNN layers between 3 and 10 has no significant effect on the prediction results. This study provided a research basis for further optimizing the GNN model for granular flow simulation. Further research should be conducted on the impact of different hyperparameters on GNN prediction results, considering the combination effect of multiple hyperparameters to obtain the optimal setting. In addition, how to make GNN learn the influence of factors such as particle size and shape is also worth considering.

     

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