arXiv:2507.20440cs.LGq-bio.GN2025-07

用图神经网络分析多组学数据,生成可复用的生物分子关系嵌入。

BioNeuralNet: A Graph Neural Network based Multi-Omics Network Data Analysis Tool

  • 基于图神经网络学习多组学网络的低维生物嵌入
  • 支持从网络构建到下游分析的全流程处理
  • 开源易用,适合精准医疗研究者快速上手

多组学数据为复杂生物系统提供了前所未有的洞察,但其高维度、稀疏性及复杂的相互作用带来了显著分析挑战。基于网络的方法通过有效捕捉分子实体间的生物学相关关系推动了多组学研究。尽管这些方法在表示分子互作方面强大,仍缺乏专门用于在多样化下游分析中高效利用网络表征的工具。为此,我们提出 BioNeuralNet,一个灵活且模块化的 Python 框架,专为端到端的网络化多组学数据分析设计。BioNeuralNet 利用图神经网络(GNNs)从多组学网络中学习具有生物学意义的低维表示,将复杂的分子网络转化为通用嵌入。该框架支持多组学网络分析的主要阶段,包括多种网络构建技术、低维表示生成及广泛的下游分析任务。其丰富的功能涵盖多样 GNN 架构,并与主流 Python 工具包(如 scikit-learn、PyTorch、NetworkX)兼容,提升可用性并促进快速采用。BioNeuralNet 是一个开源、用户友好且文档详尽的框架,旨在支持精准医学中灵活且可复现的多组学网络分析。

原文摘要 · Abstract (English)

Multi-omics data offer unprecedented insights into complex biological systems, yet their high dimensionality, sparsity, and intricate interactions pose significant analytical challenges. Network-based approaches have advanced multi-omics research by effectively capturing biologically relevant relationships among molecular entities. While these methods are powerful for representing molecular interactions, there remains a need for tools specifically designed to effectively utilize these network representations across diverse downstream analyses. To fulfill this need, we introduce BioNeuralNet, a flexible and modular Python framework tailored for end-to-end network-based multi-omics data analysis. BioNeuralNet leverages Graph Neural Networks (GNNs) to learn biologically meaningful low-dimensional representations from multi-omics networks, converting these complex molecular networks into versatile embeddings. BioNeuralNet supports all major stages of multi-omics network analysis, including several network construction techniques, generation of low-dimensional representations, and a broad range of downstream analytical tasks. Its extensive utilities, including diverse GNN architectures, and compatibility with established Python packages (e.g., scikit-learn, PyTorch, NetworkX), enhance usability and facilitate quick adoption. BioNeuralNet is an open-source, user-friendly, and extensively documented framework designed to support flexible and reproducible multi-omics network analysis in precision medicine.

多组学图神经网络生物信息

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