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Self-attentive Rationalization for Interpretable Graph Contrastive Learning

Published: 15 February 2025 Publication History

Abstract

Graph augmentation is the key component to reveal instance-discriminative features of a graph as its rationale—an interpretation for it—in graph contrastive learning (GCL). Existing rationale-aware augmentation mechanisms in GCL frameworks roughly fall into two categories and suffer from inherent limitations: (1) non-heuristic methods with the guidance of domain knowledge to preserve salient features, which require expensive expertise and lack generality, or (2) heuristic augmentations with a co-trained auxiliary model to identify crucial substructures, which face not only the dilemma between system complexity and transformation diversitybut also the instability stemming from the co-training of two separated sub-models. Inspired by recent studies on transformers, we propose self-attentive rationale-guided GCL (SR-GCL), which integrates rationale generator and encoder together, leverages the self-attention values in transformer module as a natural guidance to delineate semantically informative substructures from both node- and edge-wise perspectives, and contrasts on rationale-aware augmented pairs. On real-world biochemistry datasets, visualization results verify the effectiveness and interpretability of self-attentive rationalization, and the performance on downstream tasks demonstrates the state-of-the-art performance of SR-GCL for graph model pre-training. Codes are available at https://github.com/lsh0520/SR-GCL.

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  • (2025)Introduction for the Special Issue on Trustworthy Artificial IntelligenceACM Transactions on Knowledge Discovery from Data10.1145/371218419:2(1-6)Online publication date: 16-Feb-2025

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Published In

cover image ACM Transactions on Knowledge Discovery from Data
ACM Transactions on Knowledge Discovery from Data  Volume 19, Issue 2
February 2025
651 pages
EISSN:1556-472X
DOI:10.1145/3703012
Issue’s Table of Contents

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Association for Computing Machinery

New York, NY, United States

Publication History

Published: 15 February 2025
Online AM: 23 May 2024
Accepted: 01 May 2024
Revised: 11 February 2024
Received: 08 September 2023
Published in TKDD Volume 19, Issue 2

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Author Tags

  1. Self-supervised learning
  2. interpretability
  3. graph contrastive learning
  4. self-attention mechanism

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  • National Natural Science Foundation of China
  • University Synergy Innovation Program of Anhui Province

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  • (2025)Introduction for the Special Issue on Trustworthy Artificial IntelligenceACM Transactions on Knowledge Discovery from Data10.1145/371218419:2(1-6)Online publication date: 16-Feb-2025

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