Figure 6
Mean of the absolute error, on a logarithmic scale, for diffusion coefficients determined by SVR with RBF kernel, GPR with squared exponential covariance function, and the Nicholson-Shain equation approach for the EC mechanism depending on the rate constant k 1 . Shading around curves indicates 95% confidence intervals for the mean. The dotted line indicates the spacing used for the diffusion coefficients in the simulated data; PCA preprocessing was used for predicting coefficients with SVR and GPR.