Unsupervised learning methods for molecular simulation data

A Glielmo, BE Husic, A Rodriguez, C Clementi… - Chemical …, 2021 - ACS Publications
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 …

Towards the next generation of machine learning models in additive manufacturing: A review of process dependent material evolution

M Parsazadeh, S Sharma, N Dahotre - Progress in Materials Science, 2023 - Elsevier
Additive manufacturing facilitates producing of complex parts due to its design freedom in a
wide range of applications. Despite considerable advancements in additive manufacturing …

[HTML][HTML] Spatially informed clustering, integration, and deconvolution of spatial transcriptomics with GraphST

Y Long, KS Ang, M Li, KLK Chong, R Sethi… - Nature …, 2023 - nature.com
Spatial transcriptomics technologies generate gene expression profiles with spatial context,
requiring spatially informed analysis tools for three key tasks, spatial clustering, multisample …

The widespread IS200/IS605 transposon family encodes diverse programmable RNA-guided endonucleases

H Altae-Tran, S Kannan, FE Demircioglu, R Oshiro… - Science, 2021 - science.org
IscB proteins are putative nucleases encoded in a distinct family of IS200/IS605 transposons
and are likely ancestors of the RNA-guided endonuclease Cas9, but the functions of IscB …

SpaGCN: Integrating gene expression, spatial location and histology to identify spatial domains and spatially variable genes by graph convolutional network

J Hu, X Li, K Coleman, A Schroeder, N Ma, DJ Irwin… - Nature …, 2021 - nature.com
Recent advances in spatially resolved transcriptomics (SRT) technologies have enabled
comprehensive characterization of gene expression patterns in the context of tissue …

Cluster quality analysis using silhouette score

KR Shahapure, C Nicholas - 2020 IEEE 7th international …, 2020 - ieeexplore.ieee.org
Clustering is an important phase in data mining. Selecting the number of clusters in a
clustering algorithm, eg choosing the best value of k in the various k-means algorithms [1] …

Learning invariant graph representations for out-of-distribution generalization

H Li, Z Zhang, X Wang, W Zhu - Advances in Neural …, 2022 - proceedings.neurips.cc
Graph representation learning has shown effectiveness when testing and training graph
data come from the same distribution, but most existing approaches fail to generalize under …

A cellular hierarchy in melanoma uncouples growth and metastasis

P Karras, I Bordeu, J Pozniak, A Nowosad, C Pazzi… - Nature, 2022 - nature.com
Although melanoma is notorious for its high degree of heterogeneity and plasticity,, the
origin and magnitude of cell-state diversity remains poorly understood. Equally, it is unclear …

[HTML][HTML] A novel k-means clustering algorithm with a noise algorithm for capturing urban hotspots

X Ran, X Zhou, M Lei, W Tepsan, W Deng - Applied Sciences, 2021 - mdpi.com
With the development of cities, urban congestion is nearly an unavoidable problem for
almost every large-scale city. Road planning is an effective means to alleviate urban …

[HTML][HTML] Promotion of cholangiocarcinoma growth by diverse cancer-associated fibroblast subpopulations

S Affo, A Nair, F Brundu, A Ravichandra… - Cancer cell, 2021 - cell.com
Cancer-associated fibroblasts (CAF) are a poorly characterized cell population in the context
of liver cancer. Our study investigates CAF functions in intrahepatic cholangiocarcinoma …