We investigate Relational Graph Attention Networks, a class of models that extends non-relational graph attention mechanisms to incorporate relational information, opening up these methods to a wider variety of problems. A thorough evaluation of these models is performed, and comparisons are made against established benchmarks. To provide a meaningful comparison, we retrain Relational Graph Convolutional Networks, the spectral counterpart of Relational Graph Attention Networks, and evaluate them under the same conditions. We find that Relational Graph Attention Networks perform worse than anticipated, although some configurations are marginally beneficial for modelling molecular properties. We provide insights as to why this may be, and suggest both modifications to evaluation strategies, as well as directions to investigate for future work.
翻译:我们调查了关系图关注网络,这是一系列模型,它扩大了非关系图关注机制,纳入了关系信息,使这些方法能够解决更广泛的问题。对这些模型进行了彻底评估,并根据既定基准进行了比较。为了提供有意义的比较,我们重新培训关系图关注网络的光谱对应方“关系图关注网络”,并在相同条件下对其进行评估。我们发现,关系图关注网络的表现比预期的要差,尽管有些配置对模拟分子特性没有多大好处。我们提供了对原因的深入了解,并提出了对评估战略的修改建议,以及未来工作调查的方向。