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Hengning Cao

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AAAI Conference 2022 Conference Paper

Disentangled Spatiotemporal Graph Generative Models

Yuanqi Du
Xiaojie Guo
Hengning Cao
Yanfang Ye
Liang Zhao

Spatiotemporal graph represents a crucial data structure where the nodes and edges are embedded in a geometric space and can evolve dynamically over time. Nowadays, spatiotemporal graph data is becoming increasingly popular and important, ranging from microscale (e. g. protein folding), to middle-scale (e. g. dynamic functional connectivity), to macro-scale (e. g. human mobility network). Although disentangling and understanding the correlations among spatial, temporal, and graph aspects have been a long-standing key topic in network science, they typically rely on network processing hypothesized by human knowledge. This usually fit well towards the graph properties which can be predefined, but cannot do well for the most cases, especially for many key domains where the human has yet very limited knowledge such as protein folding and biological neuronal networks. In this paper, we aim at pushing forward the modeling and understanding of spatiotemporal graphs via new disentangled deep generative models. Specifically, a new Bayesian model is proposed that factorizes spatiotemporal graphs into spatial, temporal, and graph factors as well as the factors that explain the interplay among them. A variational objective function and new mutual information thresholding algorithms driven by information bottleneck theory have been proposed to maximize the disentanglement among the factors with theoretical guarantees. Qualitative and quantitative experiments on both synthetic and real-world datasets demonstrate the superiority of the proposed model over the state-of-the-arts by up to 69. 2% for graph generation and 41. 5% for interpretability.

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NeurIPS Conference 2021 Conference Paper

GraphGT: Machine Learning Datasets for Graph Generation and Transformation

Yuanqi Du
Shiyu Wang
Xiaojie Guo
Hengning Cao
Shujie Hu
Junji Jiang
Aishwarya Varala
Abhinav Angirekula

Graph generation has shown great potential in applications like network design and mobility synthesis and is one of the fastest-growing domains in machine learning for graphs. Despite the success of graph generation, the corresponding real-world datasets are few and limited to areas such as molecules and citation networks. To fill the gap, we introduce GraphGT, a large dataset collection for graph generation and transformation problem, which contains 36 datasets from 9 domains across 6 subjects. To assist the researchers with better explorations of the datasets, we provide a systemic review and classification of the datasets based on research tasks, graph types, and application domains. We have significantly (re)processed all the data from different domains to fit the unified framework of graph generation and transformation problems. In addition, GraphGT provides an easy-to-use graph generation pipeline that simplifies the process for graph data loading, experimental setup and model evaluation. Finally, we compare the performance of popular graph generative models in 16 graph generation and 17 graph transformation datasets, showing the great power of GraphGT in differentiating and evaluating model capabilities and drawbacks. GraphGT has been regularly updated and welcomes inputs from the community. GraphGT is publicly available at \url{https: //graphgt. github. io/} and can also be accessed via an open Python library.

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