arXiv:2409.13861physics.ao-phcs.LG2024-09被引 4

用图神经网络模拟气溶胶粒子演化,大幅加速气候模型计算。

Learning to Simulate Aerosol Dynamics with Graph Neural Networks

  • 将每个气溶胶粒子视为图节点,通过消息传递学习动态演化。
  • 在三种场景下准确预测化学过程,训练与推理速度显著提升。
  • 适合气候建模、空气污染研究者快速模拟复杂气溶胶系统。

气溶胶对气候、天气和空气质量的影响取决于单个粒子的特性,这些特性种类繁多且随时间变化。粒子解析模型是唯一能捕捉粒子物理化学性质多样性的方法,但计算成本极高。为加速此类微观物理模型,本文提出基于图神经网络的气溶胶动力学学习框架(GLAD),并用于训练粒子解析模型PartMC-MOSAIC的代理模型。在GLAD中,每个粒子作为图中的节点,通过学习的消息传递机制模拟粒子群体随时间的演化。我们针对包含硫酸酸凝结到硫酸盐、黑碳、有机碳和水组成的粒子这一简化系统进行了验证。构建以粒子为节点的图,使用PartMC-MOSAIC的输出训练图神经网络(GNN)。训练后的GNN可高效模拟和预测气溶胶动力学。结果表明该框架能准确学习化学动态,并在不同情景下良好泛化,实现高效的训练与预测。我们在三个不同情景下评估性能,展示了其在气溶胶微物理与化学建模中的鲁棒性与适应性。

原文摘要 · Abstract (English)

Aerosol effects on climate, weather, and air quality depend on characteristics of individual particles, which are tremendously diverse and change in time. Particle-resolved models are the only models able to capture this diversity in particle physiochemical properties, and these models are computationally expensive. As a strategy for accelerating particle-resolved microphysics models, we introduce Graph-based Learning of Aerosol Dynamics (GLAD) and use this model to train a surrogate of the particle-resolved model PartMC-MOSAIC. GLAD implements a Graph Network-based Simulator (GNS), a machine learning framework that has been used to simulate particle-based fluid dynamics models. In GLAD, each particle is represented as a node in a graph, and the evolution of the particle population over time is simulated through learned message passing. We demonstrate our GNS approach on a simple aerosol system that includes condensation of sulfuric acid onto particles composed of sulfate, black carbon, organic carbon, and water. A graph with particles as nodes is constructed, and a graph neural network (GNN) is then trained using the model output from PartMC-MOSAIC. The trained GNN can then be used for simulating and predicting aerosol dynamics over time. Results demonstrate the framework's ability to accurately learn chemical dynamics and generalize across different scenarios, achieving efficient training and prediction times. We evaluate the performance across three scenarios, highlighting the framework's robustness and adaptability in modeling aerosol microphysics and chemistry.

气溶胶模拟图神经网络气候建模

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