arXiv:2501.10471cs.LGq-bio.QM2025-01

VillageNet无需预先设定聚类数,自动挖掘高维生物数据潜在结构。

VillageNet: Graph-based, Easily-interpretable, Unsupervised Clustering for Broad Biomedical Applications

  • 先用K-Means分组为'村庄',再构建加权网络识别社区
  • 在真实数据集上NMI表现优于主流方法,自动确定最优聚类数
  • 计算高效适合大规模数据,结果可解释性强,适合生物医学分析

在缺乏簇数量先验知识的情况下,对高维异构数据进行聚类对于提取其潜在信息至关重要。我们提出了一种无监督聚类算法Village-Net,该算法通过两阶段实现:首先使用K-Means将数据划分为若干子集(称为'村庄'),然后构建以村庄为节点的加权网络,捕捉其邻近关系;最后利用团队开发的行走似然社区发现算法(Walk-likelihood Community Finder, WLCF)处理该网络,实现最优聚类。Village-Net能根据数据内在特征自主确定最优簇数。我们在多个具有真实标签的真实世界数据集上进行了广泛基准测试,结果显示其在标准化互信息(NMI)指标上表现优异。该算法时间复杂度为O(N*k*d),其中N为样本数,k为村庄数,d为维度,因此适用于大规模数据处理。

原文摘要 · Abstract (English)

Clustering large high-dimensional datasets with diverse variable is essential for extracting high-level latent information from these datasets. Here, we developed an unsupervised clustering algorithm, we call "Village-Net". Village-Net is specifically designed to effectively cluster high-dimension data without priori knowledge on the number of existing clusters. The algorithm operates in two phases: first, utilizing K-Means clustering, it divides the dataset into distinct subsets we refer to as "villages". Next, a weighted network is created, with each node representing a village, capturing their proximity relationships. To achieve optimal clustering, we process this network using a community detection algorithm called Walk-likelihood Community Finder (WLCF), a community detection algorithm developed by one of our team members. A salient feature of Village-Net Clustering is its ability to autonomously determine an optimal number of clusters for further analysis based on inherent characteristics of the data. We present extensive benchmarking on extant real-world datasets with known ground-truth labels to showcase its competitive performance, particularly in terms of the normalized mutual information (NMI) score, when compared to other state-of-the-art methods. The algorithm is computationally efficient, boasting a time complexity of O(N*k*d), where N signifies the number of instances, k represents the number of villages and d represents the dimension of the dataset, which makes it well suited for effectively handling large-scale datasets.

聚类算法生物信息学无监督学习网络分析

Thank you to arXiv for use of its open access interoperability. PaperDance 不是 arXiv 官方产品;中文卡片由大模型生成,请以原文为准。