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Main Authors: Li, Xiaodi, Gui, Jianfeng, Gao, Qian, Shi, Haoyuan, Yue, Zhenyu
Format: Preprint
Published: 2024
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Online Access:https://arxiv.org/abs/2408.17129
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author Li, Xiaodi
Gui, Jianfeng
Gao, Qian
Shi, Haoyuan
Yue, Zhenyu
author_facet Li, Xiaodi
Gui, Jianfeng
Gao, Qian
Shi, Haoyuan
Yue, Zhenyu
contents Graph Neural Networks have been widely applied in critical decision-making areas that demand interpretable predictions, leading to the flourishing development of interpretability algorithms. However, current graph interpretability algorithms tend to emphasize generality and often overlook biological significance, thereby limiting their applicability in predicting cancer drug responses. In this paper, we propose a novel post-hoc interpretability algorithm for cancer drug response prediction, CETExplainer, which incorporates a controllable edge-type-specific weighting mechanism. It considers the mutual information between subgraphs and predictions, proposing a structural scoring approach to provide fine-grained, biologically meaningful explanations for predictive models. We also introduce a method for constructing ground truth based on real-world datasets to quantitatively evaluate the proposed interpretability algorithm. Empirical analysis on the real-world dataset demonstrates that CETExplainer achieves superior stability and improves explanation quality compared to leading algorithms, thereby offering a robust and insightful tool for cancer drug prediction.
format Preprint
id arxiv_https___arxiv_org_abs_2408_17129
institution arXiv
publishDate 2024
record_format arxiv
spellingShingle Controllable Edge-Type-Specific Interpretation in Multi-Relational Graph Neural Networks for Drug Response Prediction
Li, Xiaodi
Gui, Jianfeng
Gao, Qian
Shi, Haoyuan
Yue, Zhenyu
Machine Learning
Artificial Intelligence
Graph Neural Networks have been widely applied in critical decision-making areas that demand interpretable predictions, leading to the flourishing development of interpretability algorithms. However, current graph interpretability algorithms tend to emphasize generality and often overlook biological significance, thereby limiting their applicability in predicting cancer drug responses. In this paper, we propose a novel post-hoc interpretability algorithm for cancer drug response prediction, CETExplainer, which incorporates a controllable edge-type-specific weighting mechanism. It considers the mutual information between subgraphs and predictions, proposing a structural scoring approach to provide fine-grained, biologically meaningful explanations for predictive models. We also introduce a method for constructing ground truth based on real-world datasets to quantitatively evaluate the proposed interpretability algorithm. Empirical analysis on the real-world dataset demonstrates that CETExplainer achieves superior stability and improves explanation quality compared to leading algorithms, thereby offering a robust and insightful tool for cancer drug prediction.
title Controllable Edge-Type-Specific Interpretation in Multi-Relational Graph Neural Networks for Drug Response Prediction
topic Machine Learning
Artificial Intelligence
url https://arxiv.org/abs/2408.17129