Many real-world dynamical systems are associated with first integrals (a.k.a. invariant quantities), which are quantities that remain unchanged over time. The discovery and understanding of first integrals are fundamental and important topics both in the natural sciences and in industrial applications. First integrals arise from the conservation laws of system energy, momentum, and mass, and from constraints on states; these are typically related to specific geometric structures of the governing equations. Existing neural networks designed to ensure such first integrals have shown excellent accuracy in modeling from data. However, these models incorporate the underlying structures, and in most situations where neural networks learn unknown systems, these structures are also unknown. This limitation needs to be overcome for scientific discovery and modeling of unknown systems. To this end, we propose first integral-preserving neural differential equation (FINDE). By leveraging the projection method and the discrete gradient method, FINDE finds and preserves first integrals from data, even in the absence of prior knowledge about underlying structures. Experimental results demonstrate that FINDE can predict future states of target systems much longer and find various quantities consistent with well-known first integrals in a unified manner.
翻译:许多现实世界的动力系统与第一积分(也称为不变量)相关,这些不变量是随着时间而不变的量。发现和理解第一积分是自然科学和工业应用中基础且重要的主题。第一积分源于系统能量、动量和质量的守恒定律,以及对状态的约束;这些通常与所涉及的方程的特定几何结构有关。现有的神经网络用于确保此类第一积分,在建模与数据方面表现出极高的准确性。然而,这些模型包含底层结构,而在神经网络学习未知系统的大多数情况下,这些结构也是未知的。为了克服这个限制,并实现对未知系统的科学发现和建模,我们提出了首积分保持的神经微分方程(FINDE)。通过利用投影方法和离散梯度方法,FINDE可以从数据中发现和保持第一积分,即使缺乏关于底层结构的先验知识也可以实现。实验结果表明,FINDE可以更长时间地预测目标系统的未来状态,并以统一的方式发现各种与众所周知的第一积分一致的量。