VQGraph: Rethinking Graph Representation Space for Bridging GNNs and MLPs
Ling Yang, Ye Tian, Minkai Xu, Zhongyi Liu, Shenda Hong, Wei Qu,, Wentao Zhang, Bin Cui, Muhan Zhang, Jure Leskovec

TL;DR
VQGraph introduces a novel graph representation space using a structure-aware tokenizer with VQ-VAE, enabling more effective GNN-to-MLP knowledge distillation and achieving state-of-the-art results.
Contribution
The paper proposes a new graph representation space via a VQ-VAE based tokenizer, improving GNN-to-MLP distillation by capturing local structural information.
Findings
Achieves state-of-the-art GNN-to-MLP distillation performance across seven datasets.
VQGraph infers 828x faster than GNNs while maintaining high accuracy.
Improves MLP accuracy by 28.05% over standalone MLPs.
Abstract
GNN-to-MLP distillation aims to utilize knowledge distillation (KD) to learn computationally-efficient multi-layer perceptron (student MLP) on graph data by mimicking the output representations of teacher GNN. Existing methods mainly make the MLP to mimic the GNN predictions over a few class labels. However, the class space may not be expressive enough for covering numerous diverse local graph structures, thus limiting the performance of knowledge transfer from GNN to MLP. To address this issue, we propose to learn a new powerful graph representation space by directly labeling nodes' diverse local structures for GNN-to-MLP distillation. Specifically, we propose a variant of VQ-VAE to learn a structure-aware tokenizer on graph data that can encode each node's local substructure as a discrete code. The discrete codes constitute a codebook as a new graph representation space that is able…
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Taxonomy
TopicsAdvanced Graph Neural Networks · Machine Learning in Materials Science · Computational Drug Discovery Methods
MethodsVQ-VAE · Knowledge Distillation
