利用多教师蒸馏学习实现准确高效的蛋白质嵌入

Jiayu Shang, Cheng Peng, Yongxin Ji, Jiaojiao Guan, Dehan Cai, Xubo Tang, Yanni Sun
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引用次数: 0

摘要

动机蛋白质嵌入将蛋白质表示为数字向量,是各种基于学习的蛋白质标注/分类问题(包括基因本体预测、蛋白质-蛋白质相互作用预测和蛋白质结构预测)中的关键步骤。然而,现有的蛋白质嵌入方法由于参数数量庞大,可达数百万甚至数十亿,因此通常计算成本高昂。随着大规模蛋白质数据集的日益增多以及对高效分析工具的需求,对高效蛋白质嵌入方法提出了迫切的要求。结果:我们提出了一种基于多教师蒸馏学习的新型蛋白质嵌入方法,该方法利用多个预先训练好的蛋白质嵌入模型的知识来学习一种紧凑且信息丰富的蛋白质表示方法。我们的方法实现了与最先进方法相当的性能,同时大大降低了计算成本和资源需求。具体来说,我们的方法减少了约70%的计算时间,并保持了与原始大型模型几乎相同的精度。这使得我们的方法非常适合大规模蛋白质分析,并使生物信息学界能够更高效地完成蛋白质嵌入任务。
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Accurate and efficient protein embedding using multi-teacher distillation learning
Motivation: Protein embedding, which represents proteins as numerical vectors, is a crucial step in various learning-based protein annotation/classification problems, including gene ontology prediction, protein-protein interaction prediction, and protein structure prediction. However, existing protein embedding methods are often computationally expensive due to their large number of parameters, which can reach millions or even billions. The growing availability of large-scale protein datasets and the need for efficient analysis tools have created a pressing demand for efficient protein embedding methods. Results: We propose a novel protein embedding approach based on multi-teacher distillation learning, which leverages the knowledge of multiple pre-trained protein embedding models to learn a compact and informative representation of proteins. Our method achieves comparable performance to state-of-the-art methods while significantly reducing computational costs and resource requirements. Specifically, our approach reduces computational time by ~70\% and maintains almost the same accuracy as the original large models. This makes our method well-suited for large-scale protein analysis and enables the bioinformatics community to perform protein embedding tasks more efficiently.
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