论文标题
几何等效图神经网络:调查
Geometrically Equivariant Graph Neural Networks: A Survey
论文作者
论文摘要
许多科学问题需要以几何图的形式处理数据。与通用图数据不同,几何图显示了翻译,旋转和/或反射的对称性。研究人员利用了这种归纳偏见,并开发了几何模棱两可的图形神经网络(GNN),以更好地表征几何图的几何形状和拓扑。尽管取得了成果,但仍然缺乏描述模棱两可的GNN进展的调查,这反过来又阻碍了均等GNN的进一步发展。为此,基于必要但简洁的数学初步,我们将现有方法分析并将现有方法分为三组,涉及如何表示GNN中的消息传递和聚集。我们还总结了基准以及相关的数据集,以促进后来的方法论开发和实验评估。还提供了未来潜在方向的前景。
Many scientific problems require to process data in the form of geometric graphs. Unlike generic graph data, geometric graphs exhibit symmetries of translations, rotations, and/or reflections. Researchers have leveraged such inductive bias and developed geometrically equivariant Graph Neural Networks (GNNs) to better characterize the geometry and topology of geometric graphs. Despite fruitful achievements, it still lacks a survey to depict how equivariant GNNs are progressed, which in turn hinders the further development of equivariant GNNs. To this end, based on the necessary but concise mathematical preliminaries, we analyze and classify existing methods into three groups regarding how the message passing and aggregation in GNNs are represented. We also summarize the benchmarks as well as the related datasets to facilitate later researches for methodology development and experimental evaluation. The prospect for future potential directions is also provided.