用物理规律指导的模型,提升复杂水体系统建模能力
Physics-Guided Foundation Model for Scientific Discovery: An Application to Aquatic Science
- 融合预训练模型与物理模型,通过多任务目标自动选择关键特征交互
- 在真实湖泊中准确预测水温与溶解氧变化,符合质量能量守恒定律
- 适合需要物理一致性约束的复杂科学问题,如环境、气候建模
物理引导机器学习(PGML)因能整合科学理论以增强模型性能而日益普及。然而,现有方法多针对单一简单任务,难以应对涉及多个相互作用过程和众多影响因素的复杂系统。本文提出一种物理引导基础模型(PGFM),结合预训练机器学习模型与基于物理的模型,利用二者互补优势,提升对多耦合过程的建模能力。为实现有效预训练,构建了一个涵盖广泛影响因素和多种由物理模型生成变量的模拟环境系统。模型在此系统中进行预训练,通过多任务目标自适应选择重要特征交互。随后使用真实观测数据微调模型,同时保持与质量与能量守恒等物理定律的一致性。实验验证了该方法在真实湖泊水温与溶解氧动态建模中的有效性。所提PGFM可广泛应用于需依赖物理模型的各类科学领域。
原文摘要 · Abstract (English)
Physics-guided machine learning (PGML) has become a prevalent approach in studying scientific systems due to its ability to integrate scientific theories for enhancing machine learning (ML) models. However, most PGML approaches are tailored to isolated and relatively simple tasks, which limits their applicability to complex systems involving multiple interacting processes and numerous influencing features. In this paper, we propose a \textit{\textbf{P}hysics-\textbf{G}uided \textbf{F}oundation \textbf{M}odel (\textbf{PGFM})} that combines pre-trained ML models and physics-based models and leverages their complementary strengths to improve the modeling of multiple coupled processes. To effectively conduct pre-training, we construct a simulated environmental system that encompasses a wide range of influencing features and various simulated variables generated by physics-based models. The model is pre-trained in this system to adaptively select important feature interactions guided by multi-task objectives. We then fine-tune the model for each specific task using true observations, while maintaining consistency with established physical theories, such as the principles of mass and energy conservation. We demonstrate the effectiveness of this methodology in modeling water temperature and dissolved oxygen dynamics in real-world lakes. The proposed PGFM is also broadly applicable to a range of scientific fields where physics-based models are being used.
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