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Graph Transformer Networks

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arxiv 1911.06455 v2 pith:JNT2GJLC submitted 2019-11-06 cs.LG cs.SIstat.ML

classification cs.LGcs.SIstat.ML
keywords graphnodegraphsgtnslearningnetworksrepresentationtasks
verification ladder T0 review T1 audit T2 compute T3 formal
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Graph neural networks (GNNs) have been widely used in representation learning on graphs and achieved state-of-the-art performance in tasks such as node classification and link prediction. However, most existing GNNs are designed to learn node representations on the fixed and homogeneous graphs. The limitations especially become problematic when learning representations on a misspecified graph or a heterogeneous graph that consists of various types of nodes and edges. In this paper, we propose Graph Transformer Networks (GTNs) that are capable of generating new graph structures, which involve identifying useful connections between unconnected nodes on the original graph, while learning effective node representation on the new graphs in an end-to-end fashion. Graph Transformer layer, a core layer of GTNs, learns a soft selection of edge types and composite relations for generating useful multi-hop connections so-called meta-paths. Our experiments show that GTNs learn new graph structures, based on data and tasks without domain knowledge, and yield powerful node representation via convolution on the new graphs. Without domain-specific graph preprocessing, GTNs achieved the best performance in all three benchmark node classification tasks against the state-of-the-art methods that require pre-defined meta-paths from domain knowledge.

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Cited by 2 Pith papers

Reviewed papers in the Pith corpus that reference this work. Sorted by Pith novelty score. OpenAlex reports about 515 citations worldwide. Full citation record

  1. Inverse-IMPRESSION: A Graph-based Platform for Molecular Structure Elucidation from Experimental NMR Spectroscopic Properties

    physics.chem-ph 2026-07 conditional novelty 6.0 of 10

    Inverse-IMPRESSION reconstructs 2D molecular bonding from experimental 1H/13C NMR (COSY/HSQC/HMBC) with 77.8% Top-1 accuracy on simulated molecules (≤30 heavy atoms) and 53% (10/19) on experimental structures up to 480 Da.

  2. Quantum Graph Transformer for NLP Sentiment Classification

    cs.CL 2025-06 conditional novelty 5.0 of 10

    A hybrid quantum-classical graph transformer for sentiment classification reports higher accuracy and better sample efficiency than a classical graph transformer on five small benchmark datasets.

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