Robust and Scalable Learning of Complex Intrinsic Dataset Geometry via ElPiGraph.

Robust and Scalable Learning of Complex Intrinsic Dataset Geometry via ElPiGraph.
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DOI:
10.3390/e22030296
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发表时间:
2020-03-04
期刊:
Entropy (Basel, Switzerland)
影响因子:
--
通讯作者:
Zinovyev A
Zinovyev A
中科院分区:
其他
文献类型:
--
作者:
Albergante L;Mirkes E;Bac J;Chen H;Martin A;Faure L;Barillot E;Pinello L;Gorban A;Zinovyev A

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表示大型数据集的多维数据点云通常具有非平凡的低维几何和拓扑特征,可以通过无监督机器学习方法,特别是通过主图来恢复。主图通过注入到数据空间中的图来近似多变量数据,并对节点映射施加一些约束。在这里,我们提出了ElPiGraph,一个可扩展的和强大的方法来构建主图。ElPiGraph利用并进一步发展了弹性能量的概念、拓扑图语法方法和图拓扑的梯度下降式优化。该方法能够承受高水平的噪声,并能够通过主图集成近似数据点云。该策略可用于估计复杂数据特征的统计显著性,并将其总结为单个共识主图。ElPiGraph可以有效地处理生物学等各个领域的大型数据集,例如,它可以用于单细胞转录组或表观基因组数据集,以推断基因表达动态并恢复分化景观。
Multidimensional datapoint clouds representing large datasets are frequently characterized by non-trivial low-dimensional geometry and topology which can be recovered by unsupervised machine learning approaches, in particular, by principal graphs. Principal graphs approximate the multivariate data by a graph injected into the data space with some constraints imposed on the node mapping. Here we present ElPiGraph, a scalable and robust method for constructing principal graphs. ElPiGraph exploits and further develops the concept of elastic energy, the topological graph grammar approach, and a gradient descent-like optimization of the graph topology. The method is able to withstand high levels of noise and is capable of approximating data point clouds via principal graph ensembles. This strategy can be used to estimate the statistical significance of complex data features and to summarize them into a single consensus principal graph. ElPiGraph deals efficiently with large datasets in various fields such as biology, where it can be used for example with single-cell transcriptomic or epigenomic datasets to infer gene expression dynamics and recover differentiation landscapes.
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