Unsupervised learning methods for molecular simulation data
Unsupervised learning is becoming an essential tool to analyze the increasingly large
amounts of data produced by atomistic and molecular simulations, in material science, solid …
amounts of data produced by atomistic and molecular simulations, in material science, solid …
Human-and machine-centred designs of molecules and materials for sustainability and decarbonization
CellRank for directed single-cell fate map**
Computational trajectory inference enables the reconstruction of cell state dynamics from
single-cell RNA sequencing experiments. However, trajectory inference requires that the …
single-cell RNA sequencing experiments. However, trajectory inference requires that the …
Toroidal topology of population activity in grid cells
The medial entorhinal cortex is part of a neural system for map** the position of an
individual within a physical environment. Grid cells, a key component of this system, fire in a …
individual within a physical environment. Grid cells, a key component of this system, fire in a …
Understanding how dimension reduction tools work: an empirical approach to deciphering t-SNE, UMAP, TriMAP, and PaCMAP for data visualization
Dimension reduction (DR) techniques such as t-SNE, UMAP, and TriMap have
demonstrated impressive visualization performance on many real-world datasets. One …
demonstrated impressive visualization performance on many real-world datasets. One …
Tutorial: guidelines for the computational analysis of single-cell RNA sequencing data
Single-cell RNA sequencing (scRNA-seq) is a popular and powerful technology that allows
you to profile the whole transcriptome of a large number of individual cells. However, the …
you to profile the whole transcriptome of a large number of individual cells. However, the …
Umap: Uniform manifold approximation and projection for dimension reduction
L McInnes, J Healy, J Melville - arxiv preprint arxiv:1802.03426, 2018 - arxiv.org
UMAP (Uniform Manifold Approximation and Projection) is a novel manifold learning
technique for dimension reduction. UMAP is constructed from a theoretical framework based …
technique for dimension reduction. UMAP is constructed from a theoretical framework based …
Tutorial: guidelines for annotating single-cell transcriptomic maps using automated and manual methods
Single-cell transcriptomics can profile thousands of cells in a single experiment and identify
novel cell types, states and dynamics in a wide variety of tissues and organisms. Standard …
novel cell types, states and dynamics in a wide variety of tissues and organisms. Standard …
Single-cell transcriptome analysis in plants: advances and challenges
The rapid and enthusiastic adoption of single-cell RNA sequencing (scRNA-seq) has
demonstrated that this technology is far more than just another way to perform transcriptome …
demonstrated that this technology is far more than just another way to perform transcriptome …