Graph-Preserving Grid Layout: A Simple Graph Drawing Method for Graph Classification using CNNs
This addresses the irregularity challenge in graph data for machine learning practitioners, though it is incremental as it builds on existing graph drawing techniques.
The paper tackles the problem of using CNNs for graph classification by projecting graphs onto regular grids via a graph-preserving layout method, achieving empirical success in classification tasks.
Graph convolutional networks (GCNs) suffer from the irregularity of graphs, while more widely-used convolutional neural networks (CNNs) benefit from regular grids. To bridge the gap between GCN and CNN, in contrast to previous works on generalizing the basic operations in CNNs to graph data, in this paper we address the problem of how to project undirected graphs onto the grid in a {\em principled} way where CNNs can be used as backbone for geometric deep learning. To this end, inspired by the literature of graph drawing we propose a novel graph-preserving grid layout (GPGL), an integer programming that minimizes the topological loss on the grid. Technically we propose solving GPGL approximately using a {\em regularized} Kamada-Kawai algorithm, a well-known nonconvex optimization technique in graph drawing, with a vertex separation penalty that improves the rounding performance on top of the solutions from relaxation. Using GPGL we can easily conduct data augmentation as every local minimum will lead to a grid layout for the same graph. Together with the help of multi-scale maxout CNNs, we demonstrate the empirical success of our method for graph classification.