arXiv:2603.14797cs.LGcs.AI2026-03

用遗传算法动态优化多任务蛋白质-核酸结合位点预测,提升泛化能力。

Multi-Task Genetic Algorithm with Multi-Granularity Encoding for Protein-Nucleotide Binding Site Prediction

  • 多粒度编码融合多尺度卷积与自注意力,提取生物数据关键特征。
  • 遗传算法自适应演化任务融合策略,突破静态融合瓶颈。
  • 利用生物相似性促进跨任务信息共享,适合低资源场景应用。

准确识别蛋白质-核酸结合位点对理解分子机制和加速药物发现至关重要。现有计算方法常因特征表示不足和固定融合机制导致性能不佳,难以有效利用跨任务信息协同。为此,我们提出MTGA-MGE框架,结合多任务遗传算法与多粒度编码,提升结合位点预测效果。具体地,设计多粒度编码(MGE)网络,融合多尺度卷积与自注意力机制,从高维冗余生物数据中提炼判别性信号;采用遗传算法动态演化任务特异性融合策略,克服静态融合限制,增强模型泛化能力;引入外部邻域机制(ENM),利用生物相似性促进跨任务定向信息交换。在15个核苷酸数据集上的广泛评估表明,MTGA-MGE不仅在数据丰富、高资源场景下达到新最优性能,也在稀有、低资源条件下保持强大竞争力,为后基因组时代复杂蛋白-配体相互作用的解析提供高度自适应方案。

原文摘要 · Abstract (English)

Accurate identification of protein-nucleotide binding sites is fundamental to deciphering molecular mechanisms and accelerating drug discovery. However, current computational methods often struggle with suboptimal performance due to inadequate feature representation and rigid fusion mechanisms, which hinder the effective exploitation of cross-task information synergy. To bridge this gap, we propose MTGA-MGE, a framework that integrates a Multi-Task Genetic Algorithm with Multi-Granularity Encoding to enhance binding site prediction. Specifically, we develop a Multi-Granularity Encoding (MGE) network that synergizes multi-scale convolutions and self-attention mechanisms to distill discriminative signals from high-dimensional, redundant biological data. To overcome the constraints of static fusion, a genetic algorithm is employed to adaptively evolve task-specific fusion strategies, thereby effectively improving model generalization. Furthermore, to catalyze collaborative learning, we introduce an External-Neighborhood Mechanism (ENM) that leverages biological similarities to facilitate targeted information exchange across tasks. Extensive evaluations on fifteen nucleotide datasets demonstrate that MTGA-MGE not only establishes a new state-of-the-art in data-abundant, high-resource scenarios but also maintains a robust competitive edge in rare, low-resource regimes, presenting a highly adaptive scheme for decoding complex protein-ligand interactions in the post-genomic era.

蛋白质预测多任务学习遗传算法生物信息

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