Authors: Brian Ondov, Chia-Hsuan Chang, Weipeng Zhou, Xingjian Zhang, Xueqing Peng, Yutong Xie, Huan He, Qiaozhu Mei, +1 more
Organizations: Department of Biomedical Informatics and Data Science, Yale School of Medicine, 333 Cedar St, New Haven, 06510, CT, USA. · School of Information, University of Michigan, 500 S. State St, Ann Arbor, 48109, MI, USA.
Abstract
High-dimensional biomedical data, such as cell-by-gene matrices, are increasingly generated temporally. However, Manifold Learning algorithms, like t-SNE and UMAP, cannot incorporate time-ordering in their layouts, obfuscating the dynamics of cell types or other classes. As a solution, we present IRIS, a new Manifold Learning algorithm that structures layouts both chronologically and by manifold topology. IRIS can visualize a wide range of dynamic biomedical data, including scRNA-seq, comparative metagenomics, and literature.
Omics datasets, particularly single-cell RNA sequencing data, are high-dimensional, sparse, noisy, and dominated by zero values, making faithful low-dimensional representation challenging. Existing dimensionality-reduction methods may distort local neighbourhoods, global organization, or the cohesion of meaningful populations, with similar limitations arising in genealogical data. We introduce Contrastive Manifold Approximation and Projection (CosMAP), a graph-based unsupervised dimensionality-reduction method for producing faithful and interpretable embeddings. CosMAP extends the graph-based framework of UMAP by combining cosine-similarity neighbourhoods with temperature-normalized contrastive affinities, which are optimized in the embedding space using an attractive--repulsive objective. It further employs a two-phase refinement strategy: an intermediate higher-dimensional representation is first learned and then used to reconstruct the neighbourhood graph and initialize the final low-dimensional embedding. We evaluate CosMAP on MNIST and USPS handwritten-digit datasets, mouse retina and cortex single-cell RNA-sequencing datasets, and a large genealogical kinship dataset derived from BALSAC-CARTaGENE. Compared with state-of-the-art dimensionality-reduction methods, CosMAP produces more coherent visual representations, improves neighbourhood preservation, and provides clearer global organization of digit classes, biological cell populations, and regional genealogical patterns. These results indicate that CosMAP offers a robust framework for exploratory analysis of complex, sparse, high-dimensional data. The implementation is publicly available at https://github.com/FenosoaRandrianjatovo/CosMAP-dr.
Fenosoa Randrianjatovo, Maya Saleh, Simon Girard +1
Exploratory analysis of high-dimensional data rarely stops at a single embedding. In practice, analysts rerun dimensionality reduction after changing preprocessing, subsets, or hyperparameters, and standard nonlinear methods can quickly become the bottleneck. We introduce FastUMAP (Bipartite Manifold Approximation and Projection), a landmark-based method designed for this repeated-use setting. FastUMAP builds a sparse point-landmark fuzzy graph, computes a Nystrom spectral warm start from the induced landmark affinity, and then refines all sample coordinates with a UMAP-style objective on the bipartite graph. The landmark ratio r = m/n provides a direct way to trade runtime against fidelity. On 9 benchmark datasets spanning 178 to 70,000 samples, FastUMAP has the lowest runtime on 7 datasets in our reported default-implementation comparison on one workstation. On MNIST and Fashion-MNIST (n=70000), it runs in about 4.6 seconds, compared with about 73--75 seconds for Barnes--Hut t-SNE, while reaching 91.4% mean kNN accuracy versus 94.6% for the strongest accuracy baseline. FastUMAP is therefore best viewed as a fast option for repeated exploratory embedding, rather than as a replacement for accuracy-first methods.
Dimensionality reduction methods such as UMAP and t-SNE are central tools for visualising high-dimensional data, but their local-neighborhood objectives can preserve sampling noise while distorting global topology. We show that standard local metrics reward this noise memorisation: top-performing embeddings invent cycles and disconnected islands absent from the data. We introduce a topology-faithfulness benchmark based on noisy manifolds with known homology, tune DiRe against it, and find Pareto-optimal configurations that match or beat GPU-accelerated UMAP on classification while recovering exact first Betti numbers on stress tests. On 723K arXiv paper embeddings, DiRe preserves 3-4 times more topological structure than UMAP at comparable wall-clock.