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arXiv 2004.03990cs.LGstat.ML
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置换等价神经网络和高阶图变分编码器的一般理论

The general theory of permutation equivarant neural networks and higher order graph variational encoders

University of Chicago(芝加哥大学);Flatiron Institute(弗莱提伦研究所)

Erik Henning Thiede, Truong Son Hy, Risi Kondor

摘要:

以前关于对称群等变神经网络的工作通常只考虑了群通过置换单个向量的元素来起作用的情况。本文给出了一般置换等变层的计算公式,包括置换等变层作用于矩阵的行列同时置换的情形。这种情况在图学习和关系学习应用中自然出现。作为高阶置换等变网络的一个特例,我们提出了一个二阶图变分编码器,并证明了等变生成模型的潜分布必须是可交换的.我们证明了这种架构的功效上的任务,链接预测在引文图和分子图生成。

英文摘要:

Previous work on symmetric group equivariant neural networks generally only considered the case where the group acts by permuting the elements of a single vector. In this paper we derive formulae for general permutation equivariant layers, including the case where the layer acts on matrices by permuting their rows and columns simultaneously. This case arises naturally in graph learning and relation learning applications. As a specific case of higher order permutation equivariant networks, we present a second order graph variational encoder, and show that the latent distribution of equivariant generative models must be exchangeable. We demonstrate the efficacy of this architecture on the tasks of link prediction in citation graphs and molecular graph generation.

机构、总结、中文摘要均由AI分析而来,可能存在错误,请以论文正文为准。

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