piecewise-regression (aka segmented regression) in python. For fitting straight line models to data with one or more breakpoints where the gradient changes. APLR builds predictive, interpretable ...
The Python Toolkit for Uncertainty Quantification (PyTUQ) is a Python-only collection of libraries and tools designed for quantifying uncertainty in computational models. PyTUQ offers a range of UQ ...
Creative Commons (CC): This is a Creative Commons license. Attribution (BY): Credit must be given to the creator. Chemometric methods are broadly used in the chemical and biochemical sectors.
Creative Commons (CC): This is a Creative Commons license. Attribution (BY): Credit must be given to the creator. Laser-induced fluorescence spectroscopy, Raman scattering, and partial least squares ...
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We provide an introduction to Gaussian process regression (GPR) machine-learning methods in computational materials science and chemistry. The focus of the present review is on the regression of ...
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