论文标题
解开的动态图深刻
Disentangled Dynamic Graph Deep Generation
论文作者
论文摘要
图形的深层生成模型在不断增加的域(例如分子设计(即原子图)和蛋白质的结构预测(即氨基酸图))中表现出了有希望的性能。现有工作通常集中在静态图表上,而不是动态图,这些图在蛋白质折叠,分子反应和人类迁移率等应用中实际上非常重要。将现有的深层生成模型从静态图表扩展到动态图是一项具有挑战性的任务,它需要处理静态和动态特征的分解以及节点和边缘模式之间的相互作用。在这里,本文提出了一个新颖的分解深层生成模型的框架,以实现可解释的动态图生成。提出了各种生成模型来表征节点,边缘,静态和动态因素之间的条件独立性。然后,根据新设计的分解变分自动编码器和复发图反应提出了变分优化策略以及动态图解码器。多个数据集上的广泛实验证明了所提出的模型的有效性。
Deep generative models for graphs have exhibited promising performance in ever-increasing domains such as design of molecules (i.e, graph of atoms) and structure prediction of proteins (i.e., graph of amino acids). Existing work typically focuses on static rather than dynamic graphs, which are actually very important in the applications such as protein folding, molecule reactions, and human mobility. Extending existing deep generative models from static to dynamic graphs is a challenging task, which requires to handle the factorization of static and dynamic characteristics as well as mutual interactions among node and edge patterns. Here, this paper proposes a novel framework of factorized deep generative models to achieve interpretable dynamic graph generation. Various generative models are proposed to characterize conditional independence among node, edge, static, and dynamic factors. Then, variational optimization strategies as well as dynamic graph decoders are proposed based on newly designed factorized variational autoencoders and recurrent graph deconvolutions. Extensive experiments on multiple datasets demonstrate the effectiveness of the proposed models.