arXiv:2510.02903cs.LGq-bio.CB2025-10被引 5

用微分方程建模细胞分化动态,可解释基因互作关系。

Learning Explicit Single-Cell Dynamics Using ODE Representations

  • 基于局部线性化微分方程的编码器-解码器架构
  • 在多个数据集上表现优于现有方法,支持大规模联合训练
  • 学习到与真实数据库一致的可解释基因调控关系

细胞分化动力学建模对理解并治疗相关疾病(如癌症)至关重要。随着单细胞数据的快速增长,机器学习在此领域展现出巨大潜力。然而,当前最先进的模型依赖计算昂贵的最优传输预处理和多阶段训练,且无法揭示显式的基因互作关系。为此,我们提出细胞机制神经网络(Cell-MNN),一种编码器-解码器架构,其潜在表示为描述从干细胞到组织细胞演化过程的局部线性化常微分方程(ODE)。Cell-MNN实现全端到端训练(仅需标准PCA预处理),其ODE表示能显式学习生物上合理且可解释的基因互作关系。实验表明,Cell-MNN在单细胞基准测试中表现竞争力,在扩展至更大规模数据集及跨数据集联合训练方面超越现有基线,同时学习到与TRRUST基因互作数据库一致的可解释基因调控关系。

原文摘要 · Abstract (English)

Modeling the dynamics of cellular differentiation is fundamental to advancing the understanding and treatment of diseases associated with this process, such as cancer. With the rapid growth of single-cell datasets, this has also become a particularly promising and active domain for machine learning. Current state-of-the-art models, however, rely on computationally expensive optimal transport preprocessing and multi-stage training, while also not discovering explicit gene interactions. To address these challenges we propose Cell-Mechanistic Neural Networks (Cell-MNN), an encoder-decoder architecture whose latent representation is a locally linearized ODE governing the dynamics of cellular evolution from stem to tissue cells. Cell-MNN is fully end-to-end (besides a standard PCA pre-processing) and its ODE representation explicitly learns biologically consistent and interpretable gene interactions. Empirically, we show that Cell-MNN achieves competitive performance on single-cell benchmarks, surpasses state-of-the-art baselines in scaling to larger datasets and joint training across multiple datasets, while also learning interpretable gene interactions that we validate against the TRRUST database of gene interactions.

细胞动力学微分方程可解释性单细胞

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