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Graph Attention Auto-Encoders (1905.10715v1)

Published 26 May 2019 in cs.LG, cs.SI, and stat.ML

Abstract: Auto-encoders have emerged as a successful framework for unsupervised learning. However, conventional auto-encoders are incapable of utilizing explicit relations in structured data. To take advantage of relations in graph-structured data, several graph auto-encoders have recently been proposed, but they neglect to reconstruct either the graph structure or node attributes. In this paper, we present the graph attention auto-encoder (GATE), a neural network architecture for unsupervised representation learning on graph-structured data. Our architecture is able to reconstruct graph-structured inputs, including both node attributes and the graph structure, through stacked encoder/decoder layers equipped with self-attention mechanisms. In the encoder, by considering node attributes as initial node representations, each layer generates new representations of nodes by attending over their neighbors' representations. In the decoder, we attempt to reverse the encoding process to reconstruct node attributes. Moreover, node representations are regularized to reconstruct the graph structure. Our proposed architecture does not need to know the graph structure upfront, and thus it can be applied to inductive learning. Our experiments demonstrate competitive performance on several node classification benchmark datasets for transductive and inductive tasks, even exceeding the performance of supervised learning baselines in most cases.

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Authors (2)
  1. Amin Salehi (23 papers)
  2. Hasan Davulcu (9 papers)
Citations (104)

Summary

Overview of "Graph Attention Auto-Encoders"

The paper by Amin Salehi and Hasan Davulcu presents a novel approach to unsupervised representation learning in graph-structured data through the Graph Attention Auto-Encoder (GATE). This architecture addresses limitations in existing graph-based auto-encoders which traditionally do not reconstruct both node attributes and the graph structure. GATE's unique capability in handling graph-structured inputs is achieved through encoder/decoder layers that incorporate self-attention mechanisms. This capability not only allows GATE to reconstruct node features and graph structure but also facilitates its applicability to inductive learning tasks by removing the dependency on having prior knowledge of the graph structure.

Key Features and Methodology

The central innovation of this work lies in the integration of self-attention mechanisms within both the encoder and decoder components of the auto-encoder. In the encoder, initial node representations are refined through layers that attend to neighbors' representations, guided by attention coefficients computed for each node and its neighbors. This process results in new node representations that are sensitive to the graph's topology. Conversely, the decoder aims to reverse the encoding process to reconstruct node attributes while regularizing node representations to capture the graph structure.

GATE is designed with a flexible architecture applicable to both transductive and inductive learning tasks. Its reliance on self-attention distinguishes it from traditional graph convolutional networks (GCNs) and variants such as graph attention networks (GATs), providing a more versatile platform for graph representation without needing label information.

Performance Evaluation and Implications

The experimental validation of GATE is conducted on standard node classification benchmark datasets—Cora, Citeseer, and Pubmed. The results affirm GATE's competitive performance compared to both unsupervised and supervised counterparts. Notably, GATE excels in classification tasks, achieving accuracies that surpass those of existing strong baselines, including supervised methods like GAT, specifically in environments with higher graph complexity. The performance gain is particularly noteworthy in Pubmed and Cora datasets, highlighting GATE's superior capability in capturing meaningful representations through its dual reconstruction approach.

Theoretical and Practical Implications

The proposed architecture not only advances the methodology for unsupervised graph representation learning but also opens up new avenues for practical application in domains such as social network analysis, bioinformatics, and recommendation systems. By effectively learning representations that capture both attribute and structural information without supervision, GATE provides a robust framework for handling real-world datasets characterized by incomplete data and evolving structures.

Future Directions

The research creates momentum for further exploration in several areas. Future developments could focus on enhancing the parallelization and efficiency of GATE, particularly addressing the current limitations in computational frameworks like Tensorflow which restrict effective batching in higher-order tensor operations. Additionally, extensions of GATE could explore hybrid learning paradigms where minimal label information is leveraged for even finer representation tuning, combining the strengths of unsupervised and supervised approaches.

In summary, this work significantly contributes to the domain of graph-based machine learning by introducing a versatile, attention-powered model for unsupervised learning tasks. The outcomes signify a step forward in handling complex graph-structured data in various practical contexts.

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