Improving Graph Generation by Restricting Graph Bandwidth

Nathaniel Lee Diamant, Alex M Tseng, Kangway V Chuang, Tommaso Biancalani, Gabriele Scalia

TL;DR: We show how restricting graph bandwidth improves graph generative models in terms of efficiency and sample quality.

Abstract: Deep graph generative modeling has proven capable of learning the distribution of complex, multi-scale structures characterizing real-world graphs. However, one of the main limitations of existing methods is their large output space, which limits generation scalability and hinders accurate modeling of the underlying distribution. To overcome these limitations, we propose a novel approach that significantly reduces the output space of existing graph generative models. Specifically, starting from the observation that many real-world graphs have low graph bandwidth, we restrict graph bandwidth during training and generation. Our strategy improves both generation scalability and quality without increasing architectural complexity or reducing expressiveness. Our approach is compatible with existing graph generative methods, and we describe its application to both autoregressive and one-shot models. We extensively validate our strategy on synthetic and real datasets, including molecular graphs. Our experiments show that, in addition to improving generation efficiency, our approach consistently improves generation quality and reconstruction accuracy. The implementation will be publicly released upon unblinding.

Community Implementations: [ 1 code implementation](https://www.catalyzex.com/paper/arxiv:2301.10857/code)