skip to main content
US FlagAn official website of the United States government
dot gov icon
Official websites use .gov
A .gov website belongs to an official government organization in the United States.
https lock icon
Secure .gov websites use HTTPS
A lock ( lock ) or https:// means you've safely connected to the .gov website. Share sensitive information only on official, secure websites.


This content will become publicly available on December 1, 2025

Title: Statistical method scDEED for detecting dubious 2D single-cell embeddings and optimizing t-SNE and UMAP hyperparameters
Abstract Two-dimensional (2D) embedding methods are crucial for single-cell data visualization. Popular methods such as t-distributed stochastic neighbor embedding (t-SNE) and uniform manifold approximation and projection (UMAP) are commonly used for visualizing cell clusters; however, it is well known that t-SNE and UMAP’s 2D embeddings might not reliably inform the similarities among cell clusters. Motivated by this challenge, we present a statistical method, scDEED, for detecting dubious cell embeddings output by a 2D-embedding method. By calculating a reliability score for every cell embedding based on the similarity between the cell’s 2D-embedding neighbors and pre-embedding neighbors, scDEED identifies the cell embeddings with low reliability scores as dubious and those with high reliability scores as trustworthy. Moreover, by minimizing the number of dubious cell embeddings, scDEED provides intuitive guidance for optimizing the hyperparameters of an embedding method. We show the effectiveness of scDEED on multiple datasets for detecting dubious cell embeddings and optimizing the hyperparameters of t-SNE and UMAP.  more » « less
Award ID(s):
1846216 2113754
PAR ID:
10503862
Author(s) / Creator(s):
; ;
Publisher / Repository:
Nature Publishing Group
Date Published:
Journal Name:
Nature Communications
Volume:
15
Issue:
1
ISSN:
2041-1723
Format(s):
Medium: X
Sponsoring Org:
National Science Foundation
More Like this
  1. Abstract MotivationThe rapid development of scRNA-seq technologies enables us to explore the transcriptome at the cell level on a large scale. Recently, various computational methods have been developed to analyze the scRNAseq data, such as clustering and visualization. However, current visualization methods, including t-SNE and UMAP, are challenged by the limited accuracy of rendering the geometric relationship of populations with distinct functional states. Most visualization methods are unsupervised, leaving out information from the clustering results or given labels. This leads to the inaccurate depiction of the distances between the bona fide functional states. In particular, UMAP and t-SNE are not optimal to preserve the global geometric structure. They may result in a contradiction that clusters with near distance in the embedded dimensions are in fact further away in the original dimensions. Besides, UMAP and t-SNE cannot track the variance of clusters. Through the embedding of t-SNE and UMAP, the variance of a cluster is not only associated with the true variance but also is proportional to the sample size. ResultsWe present supCPM, a robust supervised visualization method, which separates different clusters, preserves the global structure and tracks the cluster variance. Compared with six visualization methods using synthetic and real datasets, supCPM shows improved performance than other methods in preserving the global geometric structure and data variance. Overall, supCPM provides an enhanced visualization pipeline to assist the interpretation of functional transition and accurately depict population segregation. Availability and implementationThe R package and source code are available at https://zenodo.org/record/5975977#.YgqR1PXMJjM. Supplementary informationSupplementary data are available at Bioinformatics online. 
    more » « less
  2. When visualizing a high-dimensional dataset, dimension reduction techniques are commonly employed which provide a single 2 dimensional view of the data. We describe ENS-t-SNE: an algorithm for Embedding Neighborhoods Simultaneously that generalizes the t-Stochastic Neighborhood Embedding approach. By using different viewpoints in ENS-t-SNE’s 3D embedding, one can visualize different types of clusters within the same high-dimensional dataset. This enables the viewer to see and keep track of the different types of clusters, which is harder to do when providing multiple 2D embeddings, where corresponding points cannot be easily identified. We illustrate the utility of ENS-t-SNE with real-world applications and provide an extensive quantitative evaluation with datasets of different types and sizes. 
    more » « less
  3. Abstract The t-distributed stochastic neighbor embedding (t-SNE) method is one of the leading techniques for data visualization and clustering. This method finds lower-dimensional embedding of data points while minimizing distortions in distances between neighboring data points. By construction, t-SNE discards information about large-scale structure of the data. We show that adding a global cost function to the t-SNE cost function makes it possible to cluster the data while preserving global intercluster data structure. We test the new global t-SNE (g-SNE) method on one synthetic and two real data sets on flower shapes and human brain cells. We find that significant and meaningful global structure exists in both the plant and human brain data sets. In all cases, g-SNE outperforms t-SNE and UMAP in preserving the global structure. Topological analysis of the clustering result makes it possible to find an appropriate trade-off of data distribution across scales. We find differences in how data are distributed across scales between the two subjects that were part of the human brain data set. Thus, by striving to produce both accurate clustering and positioning between clusters, the g-SNE method can identify new aspects of data organization across scales. 
    more » « less
  4. Abstract Projection algorithms such as t‐SNE or UMAP are useful for the visualization of high dimensional data, but depend on hyperparameters which must be tuned carefully. Unfortunately, iteratively recomputing projections to find the optimal hyperparameter values is computationally intensive and unintuitive due to the stochastic nature of such methods. In this paper we propose HyperNP, a scalable method that allows for real‐time interactive hyperparameter exploration of projection methods by training neural network approximations. A HyperNP model can be trained on a fraction of the total data instances and hyperparameter configurations that one would like to investigate and can compute projections for new data and hyperparameters at interactive speeds. HyperNP models are compact in size and fast to compute, thus allowing them to be embedded in lightweight visualization systems. We evaluate the performance of HyperNP across three datasets in terms of performance and speed. The results suggest that HyperNP models are accurate, scalable, interactive, and appropriate for use in real‐world settings. 
    more » « less
  5. Projection algorithms such as t-SNE or UMAP are useful for the visualization of high dimensional data, but depend on hyperpa- rameters which must be tuned carefully. Unfortunately, iteratively recomputing projections to find the optimal hyperparameter values is computationally intensive and unintuitive due to the stochastic nature of such methods. In this paper we propose Hy- perNP, a scalable method that allows for real-time interactive hyperparameter exploration of projection methods by training neural network approximations. A HyperNP model can be trained on a fraction of the total data instances and hyperparameter configurations that one would like to investigate and can compute projections for new data and hyperparameters at interactive speeds. HyperNP models are compact in size and fast to compute, thus allowing them to be embedded in lightweight visualiza- tion systems. We evaluate the performance of HyperNP across three datasets in terms of performance and speed. The results suggest that HyperNP models are accurate, scalable, interactive, and appropriate for use in real-world settings. 
    more » « less