调节亲和矩阵平滑度可优化t-SNE对局部邻域的保持效果
How smoothing the affinity matrix affects neighborhood preservation in t-SNE
- 通过行级幂变换控制亲和矩阵平滑度,保持稀疏性与排序
- 增强锐化能更好保留最近邻,平滑则提升中等范围邻域保持
- 方法可动态调整局部感知尺度,适合需精细邻域分析的研究
降维方法在高维数据可视化中至关重要,t-SNE因其对局部邻域的强调而广泛应用。其核心是亲和矩阵,以对称概率形式表示成对相似性,定义了t-SNE的优化问题。本文研究该概率分布的锐度如何影响不同尺度下的邻域保持效果。提出一种由参数gamma控制的行级幂变换,可在保持稀疏性和秩序的前提下平滑或锐化亲和矩阵每行。该变换等价于重标定高斯带宽,即改变困惑度(perplexity)。然而,因锐度随点变化,固定gamma会导致点相关的有效困惑度,区别于全局困惑度调整。实验表明,锐化有助于保留极近邻,平滑则改善中等局部邻域的保持效果,在中等局部范围内优于多尺度等替代方法。
原文摘要 · Abstract (English)
Dimensionality reduction methods are instrumental to visualize high-dimensional data, and t-SNE stands as one of the most widely used methods due to its emphasis on local neighborhood preservation. A central component of t-SNE is the affinity matrix, which expresses pairwise similarities in the form of symmetrized probabilities, over which the optimization problem of t-SNE is defined. We study how the sharpness of this probability distribution affects neighborhood preservation at different scales. We introduce a row-wise power transform controlled by a parameter gamma that can smooth or sharpen each row of the affinity matrix while preserving sparsity and rank order. We show that this transform is equivalent to rescaling the Gaussian bandwidth and thus to changing the perplexity. However, as the sharpness of the probability distribution varies per point, a fixed gamma leads to point-dependent effective perplexities, making it distinct from changing the global perplexity. Empirically, we find that sharpening improves preservation of the very nearest neighbors, while smoothing improves preservation of broader local neighborhoods, outperforming alternative affinity constructions including multiscale methods in the mid-local range.
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