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GraphVAE: Towards Generation of Small Graphs Using Variational Autoencoders

机译:GraphVAE:使用变分自动编码器生成小图

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Deep learning on graphs has become a popular research topic with many applications. However, past work has concentrated on learning graph embedding tasks, which is in contrast with advances in generative models for images and text. Is it possible to transfer this progress to the domain of graphs? We propose to sidestep hurdles associated with linearization of such discrete structures by having a decoder output a probabilistic fully-connected graph of a predefined maximum size directly at once. Our method is formulated as a variational autoencoder. We evaluate on the challenging task of molecule generation.
机译:关于图的深度学习已成为具有许多应用程序的流行研究主题。但是,过去的工作集中在学习图形嵌入任务上,这与图像和文本的生成模型的发展形成了鲜明的对比。是否有可能将这一进展转移到图的领域?我们建议通过使解码器立即直接输出预先定义的最大大小的概率完全连接图,来避免与此类离散结构的线性化相关的障碍。我们的方法被公式化为变分自动编码器。我们评估了分子生成的艰巨任务。

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