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On UMAP's true loss function
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abstract
UMAP has supplanted t-SNE as state-of-the-art for visualizing high-dimensional datasets in many disciplines, but the reason for its success is not well understood. In this work, we investigate UMAP's sampling based optimization scheme in detail. We derive UMAP's effective loss function in closed form and find that it differs from the published one. As a consequence, we show that UMAP does not aim to reproduce its theoretically motivated high-dimensional UMAP similarities. Instead, it tries to reproduce similarities that only encode the shared $k$ nearest neighbor graph, thereby challenging the previous understanding of UMAP's effectiveness. Instead, we claim that the key to UMAP's success is its implicit balancing of attraction and repulsion resulting from negative sampling. This balancing in turn facilitates optimization via gradient descent. We corroborate our theoretical findings on toy and single cell RNA sequencing data.
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Cited by 1 Pith paper
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CosMAP: Contrastive Manifold Approximation and Projection for Dimensionality Reduction of Omics and Genealogical Data
CosMAP combines cosine-similarity neighborhoods, a temperature-scaled affinity graph, and a two-phase embedding refinement to produce low-dimensional visualizations that the authors find clearer than UMAP, t-SNE, Loca...
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