论文标题
增强用于建模动力学系统的图神经极的电感偏差
Enhancing the Inductive Biases of Graph Neural ODE for Modeling Dynamical Systems
论文作者
论文摘要
具有基于物理的诱导偏见的神经网络,例如拉格朗日神经网络(LNN)和汉密尔顿神经网络(HNN),通过编码强诱导性偏见来了解物理系统的动态。另外,还显示出适当的感应偏见的神经ODE具有相似的性能。但是,当这些模型应用于基于粒子的系统时,本质上是转导的,因此不会推广到大型系统尺寸。在本文中,我们提出了一个基于图的神经ode gnode,以了解动态系统的时间演变。此外,我们仔细分析了不同电感偏差对GNODE性能的作用。我们表明,类似于LNN和HNN,对约束进行编码可以显着提高GNODE的训练效率和性能。我们的实验还评估了模型最终性能的其他归纳偏差(例如纽顿第三定律)的价值。我们证明,在能量违规和推出误差方面,诱导这些偏见可以通过数量级来增强模型的性能。有趣的是,我们观察到,接受了最有效的电感偏差训练的Gnode,即McGnode,超过了LNN和HNN的图形版本,即Lagrangian Graph网络(LGN)和Hamiltonian图形网络(HGN)在能量侵犯的范围内,大约在4个级别的系统中,对于弹性系统而言,能量侵犯的范围大约为4个。这些结果表明,可以通过诱导适当的电感偏见来获得基于节点的系统的能源保存神经网络的竞争性能。
Neural networks with physics based inductive biases such as Lagrangian neural networks (LNN), and Hamiltonian neural networks (HNN) learn the dynamics of physical systems by encoding strong inductive biases. Alternatively, Neural ODEs with appropriate inductive biases have also been shown to give similar performances. However, these models, when applied to particle based systems, are transductive in nature and hence, do not generalize to large system sizes. In this paper, we present a graph based neural ODE, GNODE, to learn the time evolution of dynamical systems. Further, we carefully analyse the role of different inductive biases on the performance of GNODE. We show that, similar to LNN and HNN, encoding the constraints explicitly can significantly improve the training efficiency and performance of GNODE significantly. Our experiments also assess the value of additional inductive biases, such as Newtons third law, on the final performance of the model. We demonstrate that inducing these biases can enhance the performance of model by orders of magnitude in terms of both energy violation and rollout error. Interestingly, we observe that the GNODE trained with the most effective inductive biases, namely MCGNODE, outperforms the graph versions of LNN and HNN, namely, Lagrangian graph networks (LGN) and Hamiltonian graph networks (HGN) in terms of energy violation error by approx 4 orders of magnitude for a pendulum system, and approx 2 orders of magnitude for spring systems. These results suggest that competitive performances with energy conserving neural networks can be obtained for NODE based systems by inducing appropriate inductive biases.