让物理方程与机器学习无缝连接,实现高效联合训练。
Differentiable programming across the PDE and Machine Learning barrier
- 提出通用可微编程抽象,自动连接物理方程与神经网络
- 支持在Firedrake、PyTorch和JAX中运行,性能优异
- 适合需融合物理规律与数据的科研人员使用
机器学习与物理规律的结合在求解由偏微分方程(PDE)驱动的科学问题上展现出巨大潜力,具备快速推理、零样本泛化及发现新物理的能力。例如,将基本物理定律作为归纳偏置引入机器学习,或用机器学习表示微分方程中未建模的时空尺度特征。然而,将先进的PDE数值方法与前沿机器学习工具耦合,需要集成专用的PDE求解框架与主流机器学习平台。手动编写任一组件都无法满足需求。本文提出一种通用的可微编程抽象,使科学家和工程师能够以高生产率构建端到端可微模型,整合机器学习与基于PDE的组件,同时依赖代码生成实现高性能。该接口自动化了任意基于PDE的系统与机器学习模型的耦合,解锁了此前无法处理的新应用,且仅需对现有代码进行微小修改。框架已集成至Firedrake有限元库,支持PyTorch与JAX生态,以及下游库。
原文摘要 · Abstract (English)
The combination of machine learning and physical laws has shown immense potential for solving scientific problems driven by partial differential equations (PDEs) with the promise of fast inference, zero-shot generalisation, and the ability to discover new physics. Examples include the use of fundamental physical laws as inductive bias to machine learning algorithms, also referred to as physics-driven machine learning, and the application of machine learning to represent features not represented in the differential equations such as closures for unresolved spatiotemporal scales. However, the simulation of complex physical systems by coupling advanced numerics for PDEs with state-of-the-art machine learning demands the composition of specialist PDE solving frameworks with industry-standard machine learning tools. Hand-rolling either the PDE solver or the neural net will not cut it. In this work, we introduce a generic differentiable programming abstraction that provides scientists and engineers with a highly productive way of specifying end-to-end differentiable models coupling machine learning and PDE-based components, while relying on code generation for high performance. Our interface automates the coupling of arbitrary PDE-based systems and machine learning models and unlocks new applications that could not hitherto be tackled, while only requiring trivial changes to existing code. Our framework has been adopted in the Firedrake finite-element library and supports the PyTorch and JAX ecosystems, as well as downstream libraries.
Thank you to arXiv for use of its open access interoperability. PaperDance 不是 arXiv 官方产品;中文卡片由大模型生成,请以原文为准。