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PlantBGC:基于无标签领域自适应与弱监督的植物生物合成基因簇发现Transformer

PlantBGC: Transformer for Plant BGC Discovery via Label-Free Domain Adaptation and Weak Supervision

Yuhan Zhao, Nidhi Grover, Zhishan Guo, Ning Sui

arXiv 2607.27258首次发表:更新:

发表机构

North Carolina State University(北卡罗来纳州立大学)

机构由 AI 辅助整理,请以论文原文为准。

AI 中文总结

该研究针对植物BGC标签稀缺问题,提出PlantBGC模型,通过无标签领域自适应与弱监督实现植物BGC的精准发现,提升了已知BGC的恢复率并缩短了基因座长度。

AI 中文摘要

植物生物合成基因簇(BGC)编码特殊代谢物通路,但经过整理的植物BGC标签十分稀缺,阻碍了基因组规模的监督式发现。现有的植物BGC挖掘工具大多基于特征和规则驱动,未能充分利用近期上下文表示学习的进展来建模长程领域上下文,以及在强领域偏移下控制假阳性。我们旨在构建一种AI辅助工作流,通过将监督信号从标注完善的微生物BGC迁移至植物基因组,缩小实验搜索空间。我们提出PlantBGC,将基因组表示为有序的Pfam结构域序列,利用仅编码器Transformer学习BGC相似性,该模型在MIBiG微生物BGC上训练,并通过无标签掩码语言建模适配至植物。在微生物基准测试中,PlantBGC的token级AUC达到0.988(10折交叉验证)和0.979(留类验证);在植物中,适配后对34个经整理的基因座的已知BGC恢复率在严格100%覆盖下从29.4%提升至67.6%,表明边界更完整。源自GO/KEGG的弱监督将代理初级样比例分别降低48.40%(GO)和45.20%(KEGG),各物种均呈现一致降低(配对Wilcoxon检验p=1.53e-5);与plantiSMASH相比,PlantBGC在匹配区域产生更紧凑的基因座(中位长度比为0.278,93.8%的对更短)。

英文摘要

Plant biosynthetic gene clusters (BGCs) encode specialized-metabolite pathways, yet curated plant BGC labels remain scarce, hindering supervised discovery at genome scale. Existing plant BGC mining tools are largely signature- and rule-driven and do not fully leverage recent advances in contextual representation learning for modeling long-range domain context and controlling false positives under strong domain shift. We seek an AI-assisted workflow that narrows experimental search space by transferring supervision from well-annotated microbial BGCs to plant genomes. We present PlantBGC, representing genomes as ordered Pfam-domain sequences and learning BGC-likeness with an encoder-only Transformer trained on MIBiG microbial BGCs and adapted to plants via label-free masked language modeling. On microbial benchmarks, PlantBGC achieves token-level AUC = 0.988 (10-fold CV) and 0.979 (leave-class-out). On plants, adaptation improves known-BGC recovery on n = 34 curated loci under strict 100% coverage, increasing recovery from 29.4% to 67.6% and indicating more complete boundaries. GO/KEGG-derived weak supervision reduces proxy primary-like ratio by 48.40% (GO) and 45.20% (KEGG), with consistent per-species reductions (paired Wilcoxon p = 1.53e-5). Compared to plantiSMASH, PlantBGC yields more compact loci on matched regions (median length ratio = 0.278; 93.8% of pairs are shorter).

论文原文

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