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Published as a conference paper at NeurIPS 2026

A Structure-Aware Higher-Order Message Passing Framework on Walk States for Graph Classification

Lin Du, Lu Bai, Lixin Cui, Ming Li, Bo Jiang, Hangyuan Du, Ziyu Lyu, Xin Jin

Abstract

Standard Message Passing Neural Networks (MPNNs) are at most 1-WL expressive, which has spurred the development of higher-order models. In particular, many higher-order designs rely on extra global structural features (e.g., positional encodings or pairwise distances), whereas the -WL hierarchy offers a principled and quantifiable path to increased expressiveness. However, directly simulating -WL is computationally prohibitive, and existing -WL variants often sacrifice expressiveness to gain efficiency, failing to capture critical structural distinctions. To overcome these shortcomings, we propose a higher-order graph learning framework based on walk-induced lifted states with structure-aware state encoding. We further design a controllably sparsified and localized -FWL-style aggregation scheme, enabling graph-level higher-order representations via simple message passing. On the recent and challenging BREC expressiveness benchmark, our model achieves state-of-the-art total distinguishing accuracy among compared higher-order GNN baselines, outperforming strong 3-WL baselines, and remains competitive on real-world graph classification tasks.

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