スケールが「正規化ストレス」とKLダイバージェンスを破壊する仕組み：品質指標の再考

Complex, high-dimensional data is ubiquitous across many scientific disciplines, including machine learning, biology, and the social sciences. One of the primary methods of visualizing these datasets is with two-dimensional scatter plots that visually capture some properties of the data. Because visually determining the accuracy of these plots is challenging, researchers often use quality metrics to measure the projection's accuracy and faithfulness to the original data. One of the most commonly employed metrics, normalized stress, is sensitive to uniform scaling (stretching, shrinking) of the projection, despite this act not meaningfully changing anything about the projection. Another quality metric, the Kullback-Leibler (KL) divergence used in the popular t-Distributed Stochastic Neighbor Embedding (t-SNE) technique, is also susceptible to this scale sensitivity. We investigate the effect of scaling on stress and KL divergence analytically and empirically by showing just how much the values change and how this affects dimension reduction technique evaluations. We introduce a simple technique to make both metrics scale-invariant and show that it accurately captures expected behavior on a small benchmark.