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Training

PLS_Toolbox from the Command Line

Course Description

PLS_Toolbox from the Command Line was developed for PLS_Toolbox users who want to improve their efficiency by learning everything necessary to handle all their data science needs in scripts. It is also aimed at people used to working with scripting in other languages such as Python and R. The course is relevant for those working with data from a wide variety of sources, including but not limited to spectroscopy, chemical process data, and laboratory data.

There are many advanced users of PLS_Toolbox (and Solo) who develop machine learning models for calibration and classification from complex data sets. But many of them do not know that anything you can do in the user interfaces can actually be done from the command line in MATLAB–from importing to preprocessing and from model building to model application. Scripting, (the organization of command line commands), comes with a number of advantages such as easy transfer of functionality within an organization, easy handling of updates of data, easy reporting and documenting of work and many, many other things. As soon as you get past the hurdle of scripting, it is hard to go back to solely using the interfaces!

Prerequisites

Chemometrics I: Principal Components Analysis and Chemometrics II: Regression and PLS recommended.

Course Outline

  1. Getting data in
    • Import functions
    • The DataSet Object and its properties
    • Handling meta information
    • Soft deleting – what’s the use?
    • Advanced searching in complex data sets
  2. Plotting and visualizing data
    • Plotgui – the plotting utility in PLS_Toolbox
    • Scripting plots
    • Exporting
    • Changing all your defaults to your liking
    • Some bonus stuff
  3. Building models
    • Old school standardized notation for models
    • Accessing all the options for a model
    • New object oriented access to models – EVRImodels
    • Apply models
    • Cross-validation
    • Preprocessing
  4. Handling the interfaces from the command line
    • Short introduction to interface control
    • How you can use access and manipulate interfaces
  5. Conclusions