Statistical variation in progressive scrambling

  title={Statistical variation in progressive scrambling},
  author={Robert D. Clark and Peter C. Fox},
  journal={Journal of computer-aided molecular design},
  volume={18 7-9},
The two methods most often used to evaluate the robustness and predictivity of partial least squares (PLS) models are cross-validation and response randomization. Both methods may be overly optimistic for data sets that contain redundant observations, however. The kinds of perturbation analysis widely used for evaluating model stability in the context of ordinary least squares regression are only applicable when the descriptors are independent of each other and errors are independent and… CONTINUE READING