Exphormer: Sparse Transformers for Graphs

Graph transformers have emerged as a promising architecture for a variety of graph learning and representation tasks. Despite their successes, though, it remains challenging to scale graph transformers to large graphs while maintaining accuracy competitive with message-passing networks. In this paper, we introduce Exphormer, a framework for building powerful and scalable graph transformers. Exphormer consists of a sparse attention mechanism based on two mechanisms: virtual global nodes and expander graphs, whose mathematical characteristics, such as spectral expansion, pseduorandomness, and sparsity, yield graph transformers with complexity only linear in the size of the graph, while allowing us to prove desirable theoretical properties of the resulting transformer models. We show that incorporating \textsc{Exphormer} into the recently-proposed GraphGPS framework produces models with competitive empirical results on a wide variety of graph datasets, including state-of-the-art results on three datasets. We also show that \textsc{Exphormer} can scale to datasets on larger graphs than shown in previous graph transformer architectures. Code can be found at https://github.com/hamed1375/Exphormer.

Evaluating Graph Generative Models with Contrastively Learned Features

A wide range of models have been proposed for Graph Generative Models, necessitating effective methods to evaluate their quality. So far, most techniques use either traditional metrics based on subgraph counting, or the representations of randomly initialized Graph Neural Networks (GNNs). We propose using representations from contrastively trained GNNs, rather than random GNNs, and show this gives more reliable evaluation metrics. Neither traditional approaches nor GNN-based approaches dominate the other, however: we give examples of graphs that each approach is unable to distinguish. We demonstrate that Graph Substructure Networks (GSNs), which in a way combine both approaches, are better at distinguishing the distances between graph datasets.

TD-GEN: Graph Generation With Tree Decomposition

We propose TD-GEN, a graph generation framework based on tree decomposition, and introduce a reduced upper bound on the maximum number of decisions needed for graph generation. The framework includes a permutation invariant tree generation model which forms the backbone of graph generation. Tree nodes are supernodes, each representing a cluster of nodes in the graph. Graph nodes and edges are incrementally generated inside the clusters by traversing the tree supernodes, respecting the structure of the tree decomposition, and following node sharing decisions between the clusters. Finally, we discuss the shortcomings of standard evaluation criteria based on statistical properties of the generated graphs as performance measures. We propose to compare the performance of models based on likelihood. Empirical results on a variety of standard graph generation datasets demonstrate the superior performance of our method.