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arXiv 2603.12293cs.LGcs.NE
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多目标遗传编程与多视角多层级特征用于增强蛋白质二级结构预测

Multi-objective Genetic Programming with Multi-view Multi-level Feature for Enhanced Protein Secondary Structure Prediction

National Frontiers Science Center for Industrial Intelligence and Systems Optimization(国家工业智能与系统优化前沿科学中心);Key Laboratory of Data Analytics and Optimization for Smart Industry (Northeastern University)(智能工业数据解析与优化关键实验室(东北大学));Liaoning Engineering Laboratory of Data Analytics and Optimization for Smart Industry(辽宁智能工业数据解析与优化工程实验室);Liaoning Key Laboratory of Manufacturing System and Logistics Optimization(辽宁制造系统与物流优化重点实验室)

Yining Qian, Lijie Su, Meiling Xu, Xianpeng Wang

AI总结:

本文提出MOGP-MMF框架,通过多视角多层级特征选择与融合,提升蛋白质二级结构预测的准确性与效率,实验显示其在Q8精度和结构完整性上优于现有方法。

摘要:

预测蛋白质二级结构对于理解蛋白质功能和推进药物发现至关重要。然而,复杂的序列-结构关系对准确建模构成重大挑战。为此,我们提出MOGP-MMF,一种多目标遗传编程框架,将PSSP重新表述为自动优化任务,专注于特征选择和融合。具体而言,MOGP-MMF引入了多视角多层级表示策略,整合进化、语义和新引入的结构视角,以捕捉全面的蛋白质折叠逻辑。利用丰富的操作符集,框架进化了线性和非线性融合函数,有效捕捉高阶特征交互并减少融合复杂性。为解决精度-复杂性权衡,开发了改进的多目标GP算法,结合知识转移机制,利用先前进化经验引导种群向全局最优发展。在七个基准数据集上的广泛实验表明,MOGP-MMF超越了现有最先进方法,特别是在Q8精度和结构完整性方面。此外,MOGP-MMF生成了一组多样化的非支配解,为各种实际应用场景提供了灵活的模型选择方案。源代码可在GitHub上获取:https://github.com/qian-ann/MOGP-MMF/tree/main。

英文摘要:

Predicting protein secondary structure is essential for understanding protein function and advancing drug discovery. However, the intricate sequence-structure relationship poses significant challenges for accurate modeling. To address these, we propose MOGP-MMF, a multi-objective genetic programming framework that reformulates PSSP as an automated optimization task focused on feature selection and fusion. Specifically, MOGP-MMF introduces a multi-view multi-level representation strategy that integrates evolutionary, semantic, and newly introduced structural views to capture the comprehensive protein folding logic. Leveraging an enriched operator set, the framework evolves both linear and nonlinear fusion functions, effectively capturing high-order feature interactions while reducing fusion complexity. To resolve the accuracy-complexity trade-off, an improved multi-objective GP algorithm is developed, incorporating a knowledge transfer mechanism that utilizes prior evolutionary experience to guide the population toward global optima. Extensive experiments across seven benchmark datasets demonstrate that MOGP-MMF surpasses state-of-the-art methods, particularly in Q8 accuracy and structural integrity. Furthermore, MOGP-MMF generates a diverse set of non-dominated solutions, offering flexible model selection schemes for various practical application scenarios. The source code is available on GitHub: https://github.com/qian-ann/MOGP-MMF/tree/main.

机构、总结、中文摘要均由AI分析而来,可能存在错误,请以论文正文为准。

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