Beyond Flat Walks: Compositional Abstraction for Autoregressive Graph Generation
Autoregressive graph generators typically linearize graphs through flat node-edge walks, which can obscure higher-order structure in large and complex graphs. We introduce a hierarchical graph abstraction and coarse-to-fine generation pipeline that separates coarsening, tokenization, and decoding. This exposes three design axes: community coarsening, hierarchical tokenization, and order randomization. Across these axes, traversal-based hierarchy consistently improves distributional and structural fidelity, while its V.U.N.\ cost depends strongly on the coarsening and randomization policy. In particular, the fidelity--V.U.N.\ trade-off observed under within-community randomization is substantially reduced when traversal order is randomized across the full hierarchy. With a fixed backbone, training protocol, and matched training time across five molecular and five non-molecular benchmarks, hierarchical serialization yields consistent distributional and structural gains on all molecular datasets, while the non-molecular results further show that these gains depend on how well the supplied hierarchy aligns with structure in the target distribution. Together, these results…
- arXiv
- 2611.12160
- Authors
- Kaiwen Bian, Andrew H. Yang, Yusu Wang, Ali Parviz, Gal Mishne
- Categories
- cs.LG