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ML: Machine learning in chemical reaction space: https://www.nature.com/articles/s41467-020-19267-x
ML: A quantum chemical study of substituent effects on CN bonds in aryl isocyanide molecules adsorbed on the Pt surface; https://pubs.rsc.org/en/Content/ArticleLanding/CP/2020/D0CP00760A#!divAbstract
ODH: Critical Literature Review of the Kinetics for the Oxidative Dehydrogenation of Propane over Well-Defined Supported Vanadium Oxide Catalysts
Regression accuracy metrics: MSE, MAE, RMSE, and R-Squared are commonly used metrics in ML
Regression accuracy metrics: MSE, MAE, RMSE, and R-Squared are commonly used metrics in ML
SVD and Eigendecomposition:
SVD and Eigendecomposition:
SVD: The singular value decomposition (SVD) of a matrix is a central matrix decomposition method in linear algebra. It has been referred to as the “fundamental theorem of linear algebra” because it can be applied to all matrices, not only to square matrices, and it always exists. .. from mathematics of machine learning
Diagonalization and EigenDecomposition: eigendecompositon does diagonalisation (D = P^-1 AP: diagonalization of matrix A); why we need diagonalization? bcz determinants, powers and inverse calculations become super easy
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