论文标题
物理学指导的科学发现的机器学习:用于模拟湖泊温度轮廓的应用
Physics-Guided Machine Learning for Scientific Discovery: An Application in Simulating Lake Temperature Profiles
论文作者
论文摘要
基于物理的动力系统模型通常用于研究工程和环境系统。尽管它们广泛使用,但由于简化了正在建模的物理过程或选择适当参数的挑战,这些模型仍存在一些众所周知的局限性。尽管有足够的培训数据,但现有的机器学习模型有时可以胜过基于物理的模型,但它们可以产生身体上不一致的结果。本文提出了一种物理引导的复发性神经网络模型(PGRNN),该模型结合了RNN和基于物理的模型,以利用其互补优势并改善物理过程的建模。具体而言,我们表明PGRNN可以提高基于物理模型的预测准确性,同时产生与物理定律一致的输出。我们的PGRNN方法的一个重要方面在于它能够将编码的知识纳入基于物理的模型中。这允许使用很少的真正观察到的数据训练PGRNN模型,同时还可以确保高预测准确性。尽管我们在建模湖泊中温度动态的背景下介绍和评估了这种方法,但它更广泛地适用于一系列科学和工程学科,在这些科学和工程学科中,使用了物理学(也称为机械)模型,例如气候科学,材料科学,计算化学和生物医学。
Physics-based models of dynamical systems are often used to study engineering and environmental systems. Despite their extensive use, these models have several well-known limitations due to simplified representations of the physical processes being modeled or challenges in selecting appropriate parameters. While-state-of-the-art machine learning models can sometimes outperform physics-based models given ample amount of training data, they can produce results that are physically inconsistent. This paper proposes a physics-guided recurrent neural network model (PGRNN) that combines RNNs and physics-based models to leverage their complementary strengths and improves the modeling of physical processes. Specifically, we show that a PGRNN can improve prediction accuracy over that of physics-based models, while generating outputs consistent with physical laws. An important aspect of our PGRNN approach lies in its ability to incorporate the knowledge encoded in physics-based models. This allows training the PGRNN model using very few true observed data while also ensuring high prediction accuracy. Although we present and evaluate this methodology in the context of modeling the dynamics of temperature in lakes, it is applicable more widely to a range of scientific and engineering disciplines where physics-based (also known as mechanistic) models are used, e.g., climate science, materials science, computational chemistry, and biomedicine.