Interpretable High-order Knowledge Graph Neural Network for Predicting Synthetic Lethality in Human Cancers

Fuente: arXiv
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Main Authors: Chen, Xuexin, Cai, Ruichu, Huang, Zhengting, Li, Zijian, Zheng, Jie, Wu, Min
Format: Preprint
Published: 2025
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author Chen, Xuexin
Cai, Ruichu
Huang, Zhengting
Li, Zijian
Zheng, Jie
Wu, Min
author_facet Chen, Xuexin
Cai, Ruichu
Huang, Zhengting
Li, Zijian
Zheng, Jie
Wu, Min
contents Synthetic lethality (SL) is a promising gene interaction for cancer therapy. Recent SL prediction methods integrate knowledge graphs (KGs) into graph neural networks (GNNs) and employ attention mechanisms to extract local subgraphs as explanations for target gene pairs. However, attention mechanisms often lack fidelity, typically generate a single explanation per gene pair, and fail to ensure trustworthy high-order structures in their explanations. To overcome these limitations, we propose Diverse Graph Information Bottleneck for Synthetic Lethality (DGIB4SL), a KG-based GNN that generates multiple faithful explanations for the same gene pair and effectively encodes high-order structures. Specifically, we introduce a novel DGIB objective, integrating a Determinant Point Process (DPP) constraint into the standard IB objective, and employ 13 motif-based adjacency matrices to capture high-order structures in gene representations. Experimental results show that DGIB4SL outperforms state-of-the-art baselines and provides multiple explanations for SL prediction, revealing diverse biological mechanisms underlying SL inference.
format Preprint
id arxiv_https___arxiv_org_abs_2503_06052
institution arXiv
publishDate 2025
record_format arxiv
spellingShingle Interpretable High-order Knowledge Graph Neural Network for Predicting Synthetic Lethality in Human Cancers
Chen, Xuexin
Cai, Ruichu
Huang, Zhengting
Li, Zijian
Zheng, Jie
Wu, Min
Machine Learning
Quantitative Methods
Synthetic lethality (SL) is a promising gene interaction for cancer therapy. Recent SL prediction methods integrate knowledge graphs (KGs) into graph neural networks (GNNs) and employ attention mechanisms to extract local subgraphs as explanations for target gene pairs. However, attention mechanisms often lack fidelity, typically generate a single explanation per gene pair, and fail to ensure trustworthy high-order structures in their explanations. To overcome these limitations, we propose Diverse Graph Information Bottleneck for Synthetic Lethality (DGIB4SL), a KG-based GNN that generates multiple faithful explanations for the same gene pair and effectively encodes high-order structures. Specifically, we introduce a novel DGIB objective, integrating a Determinant Point Process (DPP) constraint into the standard IB objective, and employ 13 motif-based adjacency matrices to capture high-order structures in gene representations. Experimental results show that DGIB4SL outperforms state-of-the-art baselines and provides multiple explanations for SL prediction, revealing diverse biological mechanisms underlying SL inference.
title Interpretable High-order Knowledge Graph Neural Network for Predicting Synthetic Lethality in Human Cancers
topic Machine Learning
Quantitative Methods
url https://arxiv.org/abs/2503.06052