Regression Analysis

Linear Jacobi-Legendre expansion of the charge density for machine learning-accelerated electronic structure calculations
Fingerprint coding. Data transformation. Regression Analysis. Deployment of regression model to application.
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Linear Jacobi-Legendre expansion of the charge density for machine learning-accelerated electronic structure calculations
Machine learning of microscopic ingredients for graphene oxide/cellulose interaction
Feature transformation & feature engineering. Insights from regression and classification models. Data visualization.
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Machine learning of microscopic ingredients for graphene oxide/cellulose interaction