GraphVQ: Structure-Aware Autoregressive Decoding over Context-Quantized Graph Tokens

Abstract:Graph foundation models need a discrete token representation, but casting a graph as a generatable token sequence faces a structural obstacle: edges spanning beyond the serialization window cannot be emitted in one pass--so one-pass autoregressive generators systematically under-produce cycles--and a single global condition cannot tell candidate edges apart. GraphVQ removes both obstacles: node contexts--features plus a local edge mask under multi-order breadth-first serialization--are quantized into a shared codebook by a VQ-VAE with BCE-calibrated Bernoulli edge decoding, and a second-stage structure-aware decoder emits the global adjacency conditioned on token-derived pair features, whose necessity over any global-summary condition is formalized in a scoped impossibility result. The tokenizer reconstructs node features at 0.86--0.99 accuracy and decodes local edges at AUROC >= 0.89 (ECE <= 0.007). Under one same-split protocol on four datasets, pair conditioning improves orbit MMD 0.248 -> 0.174 on PROTEINS and 3.4x on a ring stress test, and vanishes on a random-label control--the signature of attribute--topology coupling--so the gain is claimed exactly where attributes carry edge-relevant signal. GraphVQ ranks first among learned generators on PROTEINS, ties for first on SYN-COMM, and improves orbit MMD 2.7--17x over one-stage generation on three datasets, with seed-level bootstrap intervals confirming the rankings are not seed noise; on MUTAG the unweighted edge target under-generates and is reported as such. These results locate the structural control of autoregressive graph generation in the granularity of the condition: pair-level token context turns a quantized vocabulary into a usable capacity axis for distribution-faithful graph generation and future token-level pretraining.

Machine Learning (cs.LG)

arXiv:2609.37604 [cs.LG]

(or arXiv:2609.37604v1 [cs.LG] for this version)

https://doi.org/10.48550/arXiv.2609.37604 Focus to learn more arXiv-issued DOI via DataCite (pending registration)

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