DRGAT: Predicting drug responses via diffusion-based graph attention network

Title DRGAT: Predicting drug responses via diffusion-based graph attention network
Author Sefer, Emre
Publication Date: 2025-03-01
Publication Place - Mary Ann Liebert
Subject Graph neural network, Drug response prediction, Drug discovery, Diffusion, Deep learning
Type Periodical
Language English
Digital Yes
Manuscript No
Library: Özyeğin University
Library Asset ID 1066-5277
Record ID cf1d1973-06f6-40b4-b8bf-f840e74f2ed1
Library Location Computer Science
Date 2025-03-01
Notes TÜBİTAK
Sample Text Accurately predicting drug response depending on a patient's genomic profile is critical for advancing personalized medicine. Deep learning approaches rise and especially the rise of graph neural networks leveraging large-scale omics datasets have been a key driver of research in this area. However, these biological datasets, which are typically high dimensional but have small sample sizes, present challenges such as overfitting and poor generalization in predictive models. As a complicating matter, gene expression (GE) data must capture complex inter-gene relationships, exacerbating these issues. In this article, we tackle these challenges by introducing a drug response prediction method, called drug response graph attention network (DRGAT), which combines a denoising diffusion implicit model for data augmentation with a recently introduced graph attention network (GAT) with high-order neighbor propagation (HO-GATs) prediction module. Our proposed approach achieved almost 5% improvement in the area under receiver operating characteristic curve compared with state-of-the-art models for the many studied drugs, indicating our method's reasonable generalization capabilities. Moreover, our experiments confirm the potential of diffusion-based generative models, a core component of our method, to mitigate the inherent limitations of omics datasets by effectively augmenting GE data.
DOI 10.1089/cmb.2024.0807
Cilt 32
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DRGAT: Predicting drug responses via diffusion-based graph attention network

Author Sefer, Emre
Publication Date 2025-03-01
Publication Place - Mary Ann Liebert
Subject Graph neural network, Drug response prediction, Drug discovery, Diffusion, Deep learning
Type Periodical
Language English
Digital Yes
Manuscript No
Library Özyeğin University
Library Asset ID 1066-5277
Record ID cf1d1973-06f6-40b4-b8bf-f840e74f2ed1
Library Location Computer Science
Date 2025-03-01
Notes TÜBİTAK
Sample Text Accurately predicting drug response depending on a patient's genomic profile is critical for advancing personalized medicine. Deep learning approaches rise and especially the rise of graph neural networks leveraging large-scale omics datasets have been a key driver of research in this area. However, these biological datasets, which are typically high dimensional but have small sample sizes, present challenges such as overfitting and poor generalization in predictive models. As a complicating matter, gene expression (GE) data must capture complex inter-gene relationships, exacerbating these issues. In this article, we tackle these challenges by introducing a drug response prediction method, called drug response graph attention network (DRGAT), which combines a denoising diffusion implicit model for data augmentation with a recently introduced graph attention network (GAT) with high-order neighbor propagation (HO-GATs) prediction module. Our proposed approach achieved almost 5% improvement in the area under receiver operating characteristic curve compared with state-of-the-art models for the many studied drugs, indicating our method's reasonable generalization capabilities. Moreover, our experiments confirm the potential of diffusion-based generative models, a core component of our method, to mitigate the inherent limitations of omics datasets by effectively augmenting GE data.
DOI 10.1089/cmb.2024.0807
Cilt 32
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