Graphs are fundamental data structures which concisely capture the relational
structure in many important real-world domains, such as knowledge graphs,
physical and social interactions, language, and chemistry. Here we introduce a
powerful new approach for learning generative models over graphs, which can
capture both their structure and attributes. Our approach uses graph neural
networks to express probabilistic dependencies among a graph's nodes and edges,
and can, in principle, learn distributions over any arbitrary graph. In a
series of experiments our results show that once trained, our models can
generate good quality samples of both synthetic graphs as well as real
molecular graphs, both unconditionally and conditioned on data. Compared to
baselines that do not use graph-structured representations, our models often
perform far better. We also explore key challenges of learning generative
models of graphs, such as how to handle symmetries and ordering of elements
during the graph generation process, and offer possible solutions. Our work is
the first and most general approach for learning generative models over
arbitrary graphs, and opens new directions for moving away from restrictions of
vector- and sequence-like knowledge representations, toward more expressive and
flexible relational data structures.

本文介绍了一种基于图神经网络的强大新方法，用于学习生成模型的过程中捕获图的结构和属性。实验证明，相较于不使用图结构表示的基线，我们的模型常常表现更好，是学习任意图的生成模型的第一个最通用的方法，为从矢量和序列式知识表示的限制中走向更具表现力和灵活性的关系型数据结构开辟了新方向。