用图神经网络加速疫情模型,30天预测误差仅10%-27%。
Graph Neural Network Surrogates to leverage Mechanistic Expert Knowledge towards Reliable and Immediate Pandemic Response
- 构建图神经网络代理模型,模拟德国400个县的疫情传播
- 预测30-90天内疫情走势,误差10%-27%,运行时间几乎不变
- 比原模型快28,670倍,适合紧急决策和网页集成
在新冠疫情中,机制模型为科学决策提供依据。但动态环境中快速决策受限于证据收集时间。本文开发了一个基于年龄结构与空间分布的元人口模型的图神经网络(GNN)代理模型。实验覆盖暴发与持续威胁场景,最多三个接触变化点,采用包含400个节点(代表德国县级单位)的空间图结构及分年龄接触矩阵。通过对比多种GNN层,发现ARMAConv架构在准确率与运行效率间表现最优。在30-90天预测周期内,允许最多三个接触变化点的情况下,代理模型达到10%-27%的平均绝对百分比误差(MAPE),且运行时间几乎不随预测时长增加。相比原机制模型,评估速度提升最高达28,670倍,显著支持时效性决策,并可轻松集成至网页系统。结果表明,GNN代理能将复杂元人口模型转化为即时可靠的疫情响应工具。
原文摘要 · Abstract (English)
During the COVID-19 crisis, mechanistic models have guided evidence-based decision making. However, time-critical decisions in a dynamical environment limit the time available to gather supporting evidence. We address this bottleneck by developing a graph neural network (GNN) surrogate of an age-structured and spatially resolved mechanistic metapopulation simulation model. This combined approach complements classical modeling approaches which are mostly mechanistic and purely data-driven machine learning approaches which are often black box. Our design of experiments spans outbreak and persistent-threat regimes, up to three contact change points, and age-structured contact matrices on a spatial graph with 400 nodes representing German counties. We benchmark multiple GNN layers and identify an ARMAConv-based architecture that offers a strong accuracy-runtime trade-off. Across horizons of 30-90 day simulation and prediction, allowing up to three contact change points, the surrogate model attains 10-27 \% mean absolute percentage error (MAPE) while delivering (near) constant runtime with respect to the forecast horizon. Our approach accelerates evaluation by up to 28,670 times compared with the mechanistic model, allowing responsive decision support in time-critical scenarios and straightforward web integration. These results show how GNN surrogates can translate complex metapopulation models into immediate, reliable tools for pandemic response.
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