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题目: PM2.5-GNN: A Domain Knowledge Enhanced Graph Neural Network For PM2.5 Forecasting

摘要:

在预测PM2.5浓度时,需要考虑复杂的信息源,因为PM2.5浓度在很长一段时间内会受到各种因素的影响。在本文中,我们识别了一组用于PM2.5预测的关键领域知识,并开发了一种新的基于图的模型PM2.5-GNN,该模型能够捕获长期相关性。在真实世界的数据集上,我们验证了所提出的模型的有效性,并检验了其捕获细粒度和长期影响PM2.5过程的能力。建议的PM2.5-GNN也已在网上部署,提供免费的预报服务。

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Graph Neural Networks (GNNs) have become increasingly popular and achieved impressive results in many graph-based applications. However, extensive manual work and domain knowledge are required to design effective architectures, and the results of GNN models have high variance with different training setups, which limits the application of existing GNN models. In this paper, we present AutoHEnsGNN, a framework to build effective and robust models for graph tasks without any human intervention. AutoHEnsGNN won first place in the AutoGraph Challenge for KDD Cup 2020, and achieved the best rank score of five real-life datasets in the final phase. Given a task, AutoHEnsGNN first applies a fast proxy evaluation to automatically select a pool of promising GNN models. Then it builds a hierarchical ensemble framework: 1) We propose graph self-ensemble (GSE), which can reduce the variance of weight initialization and efficiently exploit the information of local and global neighborhoods; 2) Based on GSE, a weighted ensemble of different types of GNN models is used to effectively learn more discriminative node representations. To efficiently search the architectures and ensemble weights, we propose AutoHEnsGNN$_{\text{Gradient}}$, which treats the architectures and ensemble weights as architecture parameters and uses gradient-based architecture search to obtain optimal configurations, and AutoHEnsGNN$_{\text{Adaptive}}$, which can adaptively adjust the ensemble weight based on the model accuracy. Extensive experiments on node classification, graph classification, edge prediction and KDD Cup challenge demonstrate the effectiveness and generality of AutoHEnsGNN

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Graph Neural Networks (GNNs) have become increasingly popular and achieved impressive results in many graph-based applications. However, extensive manual work and domain knowledge are required to design effective architectures, and the results of GNN models have high variance with different training setups, which limits the application of existing GNN models. In this paper, we present AutoHEnsGNN, a framework to build effective and robust models for graph tasks without any human intervention. AutoHEnsGNN won first place in the AutoGraph Challenge for KDD Cup 2020, and achieved the best rank score of five real-life datasets in the final phase. Given a task, AutoHEnsGNN first applies a fast proxy evaluation to automatically select a pool of promising GNN models. Then it builds a hierarchical ensemble framework: 1) We propose graph self-ensemble (GSE), which can reduce the variance of weight initialization and efficiently exploit the information of local and global neighborhoods; 2) Based on GSE, a weighted ensemble of different types of GNN models is used to effectively learn more discriminative node representations. To efficiently search the architectures and ensemble weights, we propose AutoHEnsGNN$_{\text{Gradient}}$, which treats the architectures and ensemble weights as architecture parameters and uses gradient-based architecture search to obtain optimal configurations, and AutoHEnsGNN$_{\text{Adaptive}}$, which can adaptively adjust the ensemble weight based on the model accuracy. Extensive experiments on node classification, graph classification, edge prediction and KDD Cup challenge demonstrate the effectiveness and generality of AutoHEnsGNN

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