arXiv:2410.14838cs.LGstat.ML2024-10被引 2

通过分析残差对初始化的敏感性,提出多候选秩建议方法RSIC。

Rank Suggestion in Non-negative Matrix Factorization: Residual Sensitivity to Initial Conditions (RSIC)

  • 计算不同初始化下残差的坐标中位互四分位距,识别稳定解区域。
  • 在基因、图像、文本数据上验证,比传统方法更准确发现真实结构。
  • 无需领域知识,适用于难以调参或传统方法失效的场景。

确定非负矩阵分解(NMF)中的合适秩是一个关键挑战,常需大量参数调优和领域知识。传统方法聚焦于寻找单一最优秩,可能无法捕捉真实数据的复杂结构。本文提出一种新方法——初始条件残差敏感性(RSIC),通过分析相对残差(如相对重构误差)对不同初始化的敏感性,建议多个值得关注的秩。通过计算多次随机初始化下残差的均值坐标互四分位距(MCI),该方法识别出对初始化不敏感且可能更具意义的解区域。我们在单细胞基因表达、图像和文本等多样化数据集上评估了RSIC,与现有先进秩确定方法进行对比。实验表明,RSIC能有效识别与数据底层结构一致的相关秩,在传统方法计算不可行或精度不足时表现更优。该方法为NMF秩确定提供了一种更可扩展、更通用的解决方案,不依赖领域知识或假设。

原文摘要 · Abstract (English)

Determining the appropriate rank in Non-negative Matrix Factorization (NMF) is a critical challenge that often requires extensive parameter tuning and domain-specific knowledge. Traditional methods for rank determination focus on identifying a single optimal rank, which may not capture the complex structure inherent in real-world datasets. In this study, we introduce a novel approach called Residual Sensitivity to Intial Conditions (RSIC) that suggests potentially multiple ranks of interest by analyzing the sensitivity of the relative residuals (e.g. relative reconstruction error) to different initializations. By computing the Mean Coordinatewise Interquartile Range (MCI) of the residuals across multiple random initializations, our method identifies regions where the NMF solutions are less sensitive to initial conditions and potentially more meaningful. We evaluate RSIC on a diverse set of datasets, including single-cell gene expression data, image data, and text data, and compare it against current state-of-the-art existing rank determination methods. Our experiments demonstrate that RSIC effectively identifies relevant ranks consistent with the underlying structure of the data, outperforming traditional methods in scenarios where they are computationally infeasible or less accurate. This approach provides a more scalable and generalizable solution for rank determination in NMF that does not rely on domain-specific knowledge or assumptions.

NMF秩选择数据科学

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