Department of Chemical and Biological Engineering, Faculty of Engineering, Monash University, Australia.
Department of Data Science and Artificial Intelligence, Faculty of IT, Monash University, Australia.
Neural Netw. 2024 Aug;176:106341. doi: 10.1016/j.neunet.2024.106341. Epub 2024 Apr 25.
The great learning ability of deep learning facilitates us to comprehend the real physical world, making learning to simulate complicated particle systems a promising endeavour both in academia and industry. However, the complex laws of the physical world pose significant challenges to the learning based simulations, such as the varying spatial dependencies between interacting particles and varying temporal dependencies between particle system states in different time stamps, which dominate particles' interacting behavior and the physical systems' evolution patterns. Existing learning based methods fail to fully account for the complexities, making them unable to yield satisfactory simulations. To better comprehend the complex physical laws, we propose a novel model - Graph Networks with Spatial-Temporal neural Ordinary Differential Equations (GNSTODE) - that characterizes the varying spatial and temporal dependencies in particle systems using a united end-to-end framework. Through training with real-world particle-particle interaction observations, GNSTODE can simulate any possible particle systems with high precisions. We empirically evaluate GNSTODE's simulation performance on two real-world particle systems, Gravity and Coulomb, with varying levels of spatial and temporal dependencies. The results show that GNSTODE yields better simulations than state-of-the-art methods, showing that GNSTODE can serve as an effective tool for particle simulation in real-world applications. Our code is made available at https://github.com/Guangsi-Shi/AI-for-physics-GNSTODE.
深度学习的强大学习能力使我们能够理解真实的物理世界,使得学习模拟复杂的粒子系统成为学术界和工业界都很有前途的努力。然而,物理世界的复杂规律给基于学习的模拟带来了重大挑战,例如相互作用的粒子之间的空间依赖性变化以及不同时间戳的粒子系统状态之间的时间依赖性变化,这些变化主导着粒子的相互作用行为和物理系统的演化模式。现有的基于学习的方法无法充分考虑这些复杂性,因此无法产生令人满意的模拟效果。为了更好地理解复杂的物理规律,我们提出了一种新的模型——带有时空神经常微分方程的图网络(Graph Networks with Spatial-Temporal neural Ordinary Differential Equations,GNSTODE),该模型使用端到端的统一框架来描述粒子系统中的空间和时间依赖性变化。通过使用真实世界的粒子-粒子相互作用观测进行训练,GNSTODE 可以高精度地模拟任何可能的粒子系统。我们在两个具有不同空间和时间依赖性的真实世界粒子系统——重力和库仑系统上对 GNSTODE 的模拟性能进行了实证评估。结果表明,GNSTODE 产生的模拟效果优于最先进的方法,表明 GNSTODE 可以成为真实应用中粒子模拟的有效工具。我们的代码可在 https://github.com/Guangsi-Shi/AI-for-physics-GNSTODE 上获得。