umap
NavigatingtheEffectofParametrization forDimensionalityReduction
Parametric dimensionality reduction methods have gained prominence for their ability togeneralize tounseen datasets, anadvantage that traditional approaches typically lack. Despite their growing popularity, there remains a prevalent misconception among practitioners about the equivalence in performance between parametric and non-parametric methods. Here, we showthat these methods are not equivalent - parametric methods retain global structure but lose significant localdetails.
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On UMAP's True Loss Function
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 true loss function in closed form and find that it differs from the published one in a dataset size dependent way. 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 $k$ nearest neighbor graph, thereby challenging the previous understanding of UMAP's effectiveness. Alternatively, we consider the implicit balancing of attraction and repulsion due to the negative sampling to be key to UMAP's success. We corroborate our theoretical findings on toy and single cell RNA sequencing data.
Consensus dimension reduction via multi-view learning
Dimension reduction methods are a fundamental class of techniques in data analysis, which aim to find a lower-dimensional representation of higher-dimensional data while preserving as much of the original information as possible. These methods are extensively used in practice, including in exploratory data analyses to visualize data--arguably, one of the first and most vital steps in any data analysis (Ray et al., 2021). Notably, in genomics, dimension reduction methods are ubiquitously applied to visualize high-dimensional single-cell RNA sequencing data in two dimensions (Becht et al., 2019). Beyond visualization, dimension reduction methods are also frequently employed to mitigate the curse of dimensionality (Bellman, 1957), engineer new features to improve downstream tasks like prediction (e.g., Massy, 1965), and enable scientific discovery in unsupervised learning settings (Chang et al., 2025). For example, many researchers have used dimension reduction in conjunction with clustering to discover new cell types and cell states (Wu et al., 2021), new cancer subtypes (Northcott et al., 2017), and other substantively-meaningful structure in a variety of domains (Bergen et al., 2019; Traven et al., 2017). Given the widespread use and need for dimension reduction methods, numerous dimension reduction techniques have been developed. Popular techniques include but are not limited to principal component analysis (PCA) (Pearson, 1901; Hotelling, 1933), multidimensional scaling (MDS) (Torgerson, 1952; Kruskal, 1964a), Isomap (Tenenbaum et al., 2000), locally linear embedding (LLE) (Roweis and Saul, 2000), t-distributed stochastic neighbor embedding (t-SNE) (van der 1
Probabilistic Foundations of Fuzzy Simplicial Sets for Nonlinear Dimensionality Reduction
Keck, Janis, Barth, Lukas Silvester, Fatemeh, null, Fahimi, null, Joharinad, Parvaneh, Jost, Jürgen
Fuzzy simplicial sets have become an object of interest in dimensionality reduction and manifold learning, most prominently through their role in UMAP. However, their definition through tools from algebraic topology without a clear probabilistic interpretation detaches them from commonly used theoretical frameworks in those areas. In this work we introduce a framework that explains fuzzy simplicial sets as marginals of probability measures on simplicial sets. In particular, this perspective shows that the fuzzy weights of UMAP arise from a generative model that samples Vietoris-Rips filtrations at random scales, yielding cumulative distribution functions of pairwise distances. More generally, the framework connects fuzzy simplicial sets to probabilistic models on the face poset, clarifies the relation between Kullback-Leibler divergence and fuzzy cross-entropy in this setting, and recovers standard t-norms and t-conorms via Boolean operations on the underlying simplicial sets. We then show how new embedding methods may be derived from this framework and illustrate this on an example where we generalize UMAP using Čech filtrations with triplet sampling. In summary, this probabilistic viewpoint provides a unified probabilistic theoretical foundation for fuzzy simplicial sets, clarifies the role of UMAP within this framework, and enables the systematic derivation of new dimensionality reduction methods.
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DE-VAE: Revealing Uncertainty in Parametric and Inverse Projections with Variational Autoencoders using Differential Entropy
Dennig, Frederik L., Keim, Daniel A.
Recently, autoencoders (AEs) have gained interest for creating parametric and invertible projections of multidimensional data. Parametric projections make it possible to embed new, unseen samples without recalculating the entire projection, while invertible projections allow the synthesis of new data instances. However, existing methods perform poorly when dealing with out-of-distribution samples in either the data or embedding space. Thus, we propose DE-VAE, an uncertainty-aware variational AE using differential entropy (DE) to improve the learned parametric and invertible projections. Given a fixed projection, we train DE-VAE to learn a mapping into 2D space and an inverse mapping back to the original space. We conduct quantitative and qualitative evaluations on four well-known datasets, using UMAP and t-SNE as baseline projection methods. Our findings show that DE-VAE can create parametric and inverse projections with comparable accuracy to other current AE-based approaches while enabling the analysis of embedding uncertainty.
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On the Internal Semantics of Time-Series Foundation Models
Pandey, Atharva, Neog, Abhilash, Jajoo, Gautam
Time-series Foundation Models (TSFMs) have recently emerged as a universal paradigm for learning across diverse temporal domains. However, despite their empirical success, the internal mechanisms by which these models represent fundamental time-series concepts remain poorly understood. In this work, we undertake a systematic investigation of concept interpretability in TSFMs. Specifically, we examine: (i) which layers encode which concepts, (ii) whether concept parameters are linearly recoverable, (iii) how representations evolve in terms of concept disentanglement and abstraction across model depth, and (iv) how models process compositions of concepts. We systematically probe these questions using layer-wise analyses, linear recoverability tests, and representation similarity measures, providing a structured account of TSFM semantics. The resulting insights show that early layers mainly capture local, time-domain patterns (e.g., AR(1), level shifts, trends), while deeper layers encode dispersion and change-time signals, with spectral and warping factors remaining the hardest to recover linearly. In compositional settings, however, probe performance degrades, revealing interference between concepts. This highlights that while atomic concepts are reliably localized, composition remains a challenge, underscoring a key limitation in current TSFMs' ability to represent interacting temporal phenomena.
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UMATO: Bridging Local and Global Structures for Reliable Visual Analytics with Dimensionality Reduction
Jeon, Hyeon, Ko, Kwon, Lee, Soohyun, Hyun, Jake, Yang, Taehyun, Go, Gyehun, Jo, Jaemin, Seo, Jinwook
Due to the intrinsic complexity of high-dimensional (HD) data, dimensionality reduction (DR) techniques cannot preserve all the structural characteristics of the original data. Therefore, DR techniques focus on preserving either local neighborhood structures (local techniques) or global structures such as pairwise distances between points (global techniques). However, both approaches can mislead analysts to erroneous conclusions about the overall arrangement of manifolds in HD data. For example, local techniques may exaggerate the compactness of individual manifolds, while global techniques may fail to separate clusters that are well-separated in the original space. In this research, we provide a deeper insight into Uniform Manifold Approximation with Two-phase Optimization (UMATO), a DR technique that addresses this problem by effectively capturing local and global structures. UMATO achieves this by dividing the optimization process of UMAP into two phases. In the first phase, it constructs a skeletal layout using representative points, and in the second phase, it projects the remaining points while preserving the regional characteristics. Quantitative experiments validate that UMATO outperforms widely used DR techniques, including UMAP, in terms of global structure preservation, with a slight loss in local structure. We also confirm that UMATO outperforms baseline techniques in terms of scalability and stability against initialization and subsampling, making it more effective for reliable HD data analysis. Finally, we present a case study and a qualitative demonstration that highlight UMATO's effectiveness in generating faithful projections, enhancing the overall reliability of visual analytics using DR.
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