Preventing Representational Rank Collapse in MPNNs by Splitting the Computational Graph

Andreas Roth, Franka Bause, Nils Morten Kriege, Thomas Liebig

Keywords: message-passing, over-smoothing, computational graph, rank collapse

TL;DR: This work proves the theoretical advantages of utilizing multiple edge relations and how to construct them.

Abstract: The ability of message-passing neural networks (MPNNs) to fit complex functions over graphs is limited as most graph convolutions amplify the same signal across all feature channels, a phenomenon known as rank collapse, and over-smoothing as a special case. Most approaches to mitigate over-smoothing extend common message-passing schemes, e.g., the graph convolutional network, by utilizing residual connections, gating mechanisms, normalization, or regularization techniques. Our work contrarily proposes to directly tackle the cause of this issue by modifying the message-passing scheme and exchanging different types of messages using multi-relational graphs. We identify a sufficient condition to ensure linearly independent node representations. As one instantion, we show that operating on multiple directed acyclic graphs always satisfies our condition and propose to obtain these by defining a strict partial ordering of the nodes. We conduct comprehensive experiments that confirm the benefits of operating on multi-relational graphs to achieve more informative node representations.

Submission Type: Full paper proceedings track submission (max 9 main pages).

Software: https://github.com/roth-andreas/simplifying-over-smoothing

Submission Number: 126