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Chemistry

Working Paper

Unsupervised Analysis of Optical Imaging Data for the Discovery of Reactivity Patterns in Metal Alloy

Rui Li, Aleksei Makogon, Tatiana Galochkina, Jean-François Lemineur, Frédéric Kanoufi, Viacheslav Shkirskiy

Version 2 posted 09 June 2023

200

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Chemistry

Working Paper

Sampling real-time atomic dynamics in metal nanoparticles by combining experiments, simulations, and machine learning

Matteo Cioni, Massimo Delle Piane, Daniela Polino, Daniele Rapetti, Martina Crippa, Ece Arslan Irmak, Sandra Van Aert, Sara Bals, Giovanni Maria Pavan

Version 2 posted 15 September 2023

107

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Chemistry

Working Paper

Unsupervised pharmaceutical polymorph identification and multicomponent particle mapping of ToF-SIMS data by non-negative matrix factorization

Thomas P. Forbes, Greg Gillen, Amanda J. Souna, Jeffrey Lawrence

Version 1 posted 05 September 2022

175

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Chemistry

Working Paper

Automated Analysis of Nano-Impact Single-Entity Electrochemistry Signals using Unsupervised Machine Learning and Template Matching

Ziwen Zhao, Arunava Naha, Sagar Ganguli, Alina Sekretareva

Version 1 posted 23 June 2023

174

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Chemistry

Working Paper

Is Unsupervised Machine Learning Sufficient to Decode the Complexities of Electrochemical Impedance Spectra?

Aleksei Makogon, Frédéric Kanoufi, Viacheslav SHKIRSKIY

Version 1 posted 01 December 2023

36

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Chemistry

Working Paper

Unsupervised Machine Learning for Unbiased Chemical Classification in X-ray Absorption Spectroscopy and X-ray Emission Spectroscopy

Samantha Tetef, Niranjan Govind, Gerald Seidler

Version 1 posted 21 June 2021

764

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Chemistry

Working Paper

The Principal Component Analysis of the Ring Deformation in the Nonadiabatic Surface Hopping Dynamics

Yifei Zhu, Jiawei Peng, Xu Kang, Chao Xu, Zhenggang Lan

Version 1 posted 29 June 2022

115

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Chemistry

Working Paper

A Machine Learning Approach for Predicting Defluorination of Per- and Polyfluoroalkyl Substances (PFAS) for Their Efficient Treatment and Removal

Akber Raza, Lihua Xu, Sharma Yamijala, Chao Lian, Hyuna Kwon, Bryan Wong

Version 1 posted 03 September 2019

637

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Chemistry

Working Paper

Harnessing Semi-Supervised Machine Learning to Automatically Predict Bioactivities of Per- and Polyfluoroalkyl Substances (PFASs)

Hyuna Kwon, Zulfikhar Ali, Bryan Wong

Version 1 posted 24 August 2022

74

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1

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9 results in Unsupervised Machine Learning in Keywords: Unsupervised Machine Learning

Unsupervised Analysis of Optical Imaging Data for the Discovery of Reactivity Patterns in Metal Alloy

Sampling real-time atomic dynamics in metal nanoparticles by combining experiments, simulations, and machine learning

Unsupervised pharmaceutical polymorph identification and multicomponent particle mapping of ToF-SIMS data by non-negative matrix factorization

Automated Analysis of Nano-Impact Single-Entity Electrochemistry Signals using Unsupervised Machine Learning and Template Matching

Is Unsupervised Machine Learning Sufficient to Decode the Complexities of Electrochemical Impedance Spectra?

Unsupervised Machine Learning for Unbiased Chemical Classification in X-ray Absorption Spectroscopy and X-ray Emission Spectroscopy

The Principal Component Analysis of the Ring Deformation in the Nonadiabatic Surface Hopping Dynamics

A Machine Learning Approach for Predicting Defluorination of Per- and Polyfluoroalkyl Substances (PFAS) for Their Efficient Treatment and Removal

Harnessing Semi-Supervised Machine Learning to Automatically Predict Bioactivities of Per- and Polyfluoroalkyl Substances (PFASs)

9 results in Keywords: Unsupervised Machine Learning