提出新方法评估UMAP投影的稳定性,揭示随机性对结果的影响。
GhostUMAP2: Measuring and Analyzing (r,d)-Stability of UMAP
- 用数据点副本(幽灵)模拟随机性,量化投影位置变化
- 发现多数点在随机初始化下投影不稳,影响结构可信度
- 提供可视化工具和优化算法,适合关注模型可靠性的研究者
尽管UMAP被广泛使用,其随机优化过程对结果的影响仍缺乏深入研究。我们观察到,它常产生不稳定结果,数据点位置主要由随机性决定而非邻近结构。为此,我们引入(r,d)-稳定性框架,分析投影空间中数据点的随机定位。通过引入“幽灵”——即数据点的重复副本,模拟因随机性带来的位置扰动。若一个数据点的幽灵在初始投影中扰动半径为r,最终位置仍被限制在半径d内,则称其为(r,d)-稳定。为高效计算幽灵投影,我们设计自适应丢弃策略,相比未优化基线可降低60%运行时间,同时保留约90%的不稳定点。我们还开发了交互式可视化工具,支持对稳定性进行探索。最后,通过真实数据集验证框架有效性,并给出实际使用建议。
原文摘要 · Abstract (English)
Despite the widespread use of Uniform Manifold Approximation and Projection (UMAP), the impact of its stochastic optimization process on the results remains underexplored. We observed that it often produces unstable results where the projections of data points are determined mostly by chance rather than reflecting neighboring structures. To address this limitation, we introduce (r,d)-stability to UMAP: a framework that analyzes the stochastic positioning of data points in the projection space. To assess how stochastic elements, specifically initial projection positions and negative sampling, impact UMAP results, we introduce "ghosts", or duplicates of data points representing potential positional variations due to stochasticity. We define a data point's projection as (r,d)-stable if its ghosts perturbed within a circle of radius r in the initial projection remain confined within a circle of radius d for their final positions. To efficiently compute the ghost projections, we develop an adaptive dropping scheme that reduces a runtime up to 60% compared to an unoptimized baseline while maintaining approximately 90% of unstable points. We also present a visualization tool that supports the interactive exploration of the (r,d)-stability of data points. Finally, we demonstrate the effectiveness of our framework by examining the stability of projections of real-world datasets and present usage guidelines for the effective use of our framework.
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