Metric multidimensional scaling for large single-cell datasets using neural networks.

IF 16.4 1区 化学 Q1 CHEMISTRY, MULTIDISCIPLINARY Accounts of Chemical Research Pub Date : 2024-06-11 DOI:10.1186/s13015-024-00265-3
Stefan Canzar, Van Hoan Do, Slobodan Jelić, Sören Laue, Domagoj Matijević, Tomislav Prusina
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Abstract

Metric multidimensional scaling is one of the classical methods for embedding data into low-dimensional Euclidean space. It creates the low-dimensional embedding by approximately preserving the pairwise distances between the input points. However, current state-of-the-art approaches only scale to a few thousand data points. For larger data sets such as those occurring in single-cell RNA sequencing experiments, the running time becomes prohibitively large and thus alternative methods such as PCA are widely used instead. Here, we propose a simple neural network-based approach for solving the metric multidimensional scaling problem that is orders of magnitude faster than previous state-of-the-art approaches, and hence scales to data sets with up to a few million cells. At the same time, it provides a non-linear mapping between high- and low-dimensional space that can place previously unseen cells in the same embedding.

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利用神经网络对大型单细胞数据集进行度量多维缩放。
度量多维缩放是将数据嵌入低维欧几里得空间的经典方法之一。它通过近似保留输入点之间的成对距离来创建低维嵌入。然而,目前最先进的方法只能对几千个数据点进行缩放。对于单细胞 RNA 测序实验等较大的数据集,运行时间会变得过长,因此 PCA 等替代方法被广泛使用。在这里,我们提出了一种基于神经网络的简单方法来解决度量多维缩放问题,这种方法比以往最先进的方法要快几个数量级,因此可扩展到多达几百万个细胞的数据集。同时,它还提供了高维空间和低维空间之间的非线性映射,可将以前未见过的单元格置于相同的嵌入中。
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来源期刊
Accounts of Chemical Research
Accounts of Chemical Research 化学-化学综合
CiteScore
31.40
自引率
1.10%
发文量
312
审稿时长
2 months
期刊介绍: Accounts of Chemical Research presents short, concise and critical articles offering easy-to-read overviews of basic research and applications in all areas of chemistry and biochemistry. These short reviews focus on research from the author’s own laboratory and are designed to teach the reader about a research project. In addition, Accounts of Chemical Research publishes commentaries that give an informed opinion on a current research problem. Special Issues online are devoted to a single topic of unusual activity and significance. Accounts of Chemical Research replaces the traditional article abstract with an article "Conspectus." These entries synopsize the research affording the reader a closer look at the content and significance of an article. Through this provision of a more detailed description of the article contents, the Conspectus enhances the article's discoverability by search engines and the exposure for the research.
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