用深度学习从数据中自动发现未知微分方程,支持多种复杂系统建模。
DUE: A Deep Learning Framework and Library for Modeling Unknown Equations
- 基于深度网络构建统一框架,可学习各类微分方程(如ODE/PDE/SDE)
- 支持从观测数据中直接推导未知方程,也可替代传统数值求解复杂方程
- 开源工具包,适合科研与教学,涵盖主流神经网络结构
微分方程在科学与工程中是理解自然现象和预测复杂动态的基础。然而,许多复杂系统的控制方程因机制过于复杂而未知。近年来,机器学习与数据科学的发展推动了数据驱动的方程发现新范式。本文提出一种系统性深度学习框架,用于从测量或仿真数据中建模未知方程。该框架可学习常微分方程(ODE)、偏微分方程(PDE)、代数微分方程(DAE)、积分微分方程(IDE)、随机微分方程(SDE)、降维或部分可观测系统及非自治微分方程。基于此框架,我们开发了开源软件包 Deep Unknown Equations(DUE),支持使用现代深度学习方法(如FNN、ResNet、广义ResNet、OSG-Net、Transformer)进行数据驱动建模。DUE既可用于课堂教学,帮助学生掌握微分方程与深度学习,也是跨学科研究者的实用工具,适用于未知方程发现与已知复杂方程的代理建模。
原文摘要 · Abstract (English)
Equations, particularly differential equations, are fundamental for understanding natural phenomena and predicting complex dynamics across various scientific and engineering disciplines. However, the governing equations for many complex systems remain unknown due to intricate underlying mechanisms. Recent advancements in machine learning and data science offer a new paradigm for modeling unknown equations from measurement or simulation data. This paradigm shift, known as data-driven discovery or modeling, stands at the forefront of AI for science, with significant progress made in recent years. In this paper, we introduce a systematic framework for data-driven modeling of unknown equations using deep learning. This versatile framework is capable of learning unknown ODEs, PDEs, DAEs, IDEs, SDEs, reduced or partially observed systems, and non-autonomous differential equations. Based on this framework, we have developed Deep Unknown Equations (DUE), an open-source software package designed to facilitate the data-driven modeling of unknown equations using modern deep learning techniques. DUE serves as an educational tool for classroom instruction, enabling students and newcomers to gain hands-on experience with differential equations, data-driven modeling, and contemporary deep learning approaches such as FNN, ResNet, generalized ResNet, operator semigroup networks (OSG-Net), and Transformers. Additionally, DUE is a versatile and accessible toolkit for researchers across various scientific and engineering fields. It is applicable not only for learning unknown equations from data but also for surrogate modeling of known, yet complex, equations that are costly to solve using traditional numerical methods. We provide detailed descriptions of DUE and demonstrate its capabilities through diverse examples, which serve as templates that can be easily adapted for other applications.
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