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Hauptverfasser: Ma, Zheng, Chen, Jiazhen, Xin, Lei, Ghodsi, Ali
Format: Preprint
Veröffentlicht: 2026
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Online-Zugang:https://arxiv.org/abs/2605.04376
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author Ma, Zheng
Chen, Jiazhen
Xin, Lei
Ghodsi, Ali
author_facet Ma, Zheng
Chen, Jiazhen
Xin, Lei
Ghodsi, Ali
contents The integration of deep learning approaches in biomedical research has been transformative, enabling breakthroughs in various applications. Despite these strides, its application in protein inference is impeded by the scarcity of extensively labeled datasets, a challenge compounded by the high costs and complexities of accurate protein annotation. In this study, we introduce GraphPI, a novel framework that treats protein inference as a node classification problem. We treat proteins as interconnected nodes within a protein-peptide-PSM graph, utilizing a Graph Neural Network-based architecture to elucidate their interrelations. To address label scarcity, we train the model on a set of unlabeled public protein datasets with pseudo-labels derived from an existing protein inference algorithm, enhanced by self-training to iteratively refine labels based on confidence scores. Contrary to prevalent methodologies necessitating dataset-specific training, our research illustrates that GraphPI, due to the well normalized nature of Percolator features, exhibits universal applicability without dataset-specific fine-tuning, a feature that not only mitigates the risk of overfitting but also enhances computational efficiency. Our empirical experiments reveal notable performance on various test datasets and deliver significantly reduced computation times compared to common protein inference algorithms.
format Preprint
id arxiv_https___arxiv_org_abs_2605_04376
institution arXiv
publishDate 2026
record_format arxiv
spellingShingle GraphPI: Efficient Protein Inference with Graph Neural Networks
Ma, Zheng
Chen, Jiazhen
Xin, Lei
Ghodsi, Ali
Machine Learning
The integration of deep learning approaches in biomedical research has been transformative, enabling breakthroughs in various applications. Despite these strides, its application in protein inference is impeded by the scarcity of extensively labeled datasets, a challenge compounded by the high costs and complexities of accurate protein annotation. In this study, we introduce GraphPI, a novel framework that treats protein inference as a node classification problem. We treat proteins as interconnected nodes within a protein-peptide-PSM graph, utilizing a Graph Neural Network-based architecture to elucidate their interrelations. To address label scarcity, we train the model on a set of unlabeled public protein datasets with pseudo-labels derived from an existing protein inference algorithm, enhanced by self-training to iteratively refine labels based on confidence scores. Contrary to prevalent methodologies necessitating dataset-specific training, our research illustrates that GraphPI, due to the well normalized nature of Percolator features, exhibits universal applicability without dataset-specific fine-tuning, a feature that not only mitigates the risk of overfitting but also enhances computational efficiency. Our empirical experiments reveal notable performance on various test datasets and deliver significantly reduced computation times compared to common protein inference algorithms.
title GraphPI: Efficient Protein Inference with Graph Neural Networks
topic Machine Learning
url https://arxiv.org/abs/2605.04376