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A Theory of Link Prediction via Relational Weisfeiler-Leman on Knowledge Graphs

Neural Information Processing Systems

Our goal is to provide a systematic understanding of the landscape of graph neural networks for knowledge graphs pertaining to the prominent task of link prediction. Our analysis entails a unifying perspective on seemingly unrelated models and unlocks a series of other models.


A Theory of Link Prediction via Relational Weisfeiler-Leman on Knowledge Graphs

Neural Information Processing Systems

Our goal is to provide a systematic understanding of the landscape of graph neural networks for knowledge graphs pertaining to the prominent task of link prediction. Our analysis entails a unifying perspective on seemingly unrelated models and unlocks a series of other models.


Expressive Power of Temporal Message Passing

Wałęga, Przemysław Andrzej, Rawson, Michael

arXiv.org Artificial Intelligence

Graph neural networks (GNNs) have recently been adapted to temporal settings, often employing temporal versions of the message-passing mechanism known from GNNs. We divide temporal message passing mechanisms from literature into two main types: global and local, and establish Weisfeiler-Leman characterisations for both. This allows us to formally analyse expressive power of temporal message-passing models. We show that global and local temporal message-passing mechanisms have incomparable expressive power when applied to arbitrary temporal graphs. However, the local mechanism is strictly more expressive than the global mechanism when applied to colour-persistent temporal graphs, whose node colours are initially the same in all time points. Our theoretical findings are supported by experimental evidence, underlining practical implications of our analysis.


A Theory of Link Prediction via Relational Weisfeiler-Leman on Knowledge Graphs

Huang, Xingyue, Orth, Miguel Romero, Ceylan, İsmail İlkan, Barceló, Pablo

arXiv.org Artificial Intelligence

Graph neural networks are prominent models for representation learning over graph-structured data. While the capabilities and limitations of these models are well-understood for simple graphs, our understanding remains incomplete in the context of knowledge graphs. Our goal is to provide a systematic understanding of the landscape of graph neural networks for knowledge graphs pertaining to the prominent task of link prediction. Our analysis entails a unifying perspective on seemingly unrelated models and unlocks a series of other models. The expressive power of various models is characterized via a corresponding relational Weisfeiler-Leman algorithm. This analysis is extended to provide a precise logical characterization of the class of functions captured by a class of graph neural networks. The theoretical findings presented in this paper explain the benefits of some widely employed practical design choices, which are validated empirically.