Full workflow from CSV

Overview

fullworkflow_fig

Required inputs

Name

Target_values

x1

x2

x3

x4

x5

x6

x7

x8

x9

x10

x11

1

1.854766065

12

110.9270401

70.8240401

Csub-H

89.87553406

49.77253406

1

0

0

0

1

2

2.034511341

11.7

110.6553116

70.25231158

Csub-Csub

78.65235138

55.53135138

1

0

0

0

1

...

36

0.321084552

-101.6

110.7593079

-42.94369214

Csub-O

59.81459808

-76.60640192

0

2

1

3

3

37

0.329517076

-101.6

115.2292938

-38.47370618

Csub-O

70.45233154

-65.96866846

0

2

1

3

3

Executing the job

Instructions:

  1. Download the Robert_example.csv file specified in Required inputs.

  2. Go to the folder containing the CSV file in your terminal (using the "cd" command, i.e. cd C:/Users/test_robert).

  3. Activate the conda environment where ROBERT was installed (conda activate robert).

  4. Run the following command line:

python -m robert --names Name --y Target_values --csv_name Robert_example.csv

Options used:

  • --names Name: Name of the column containing the names of the datapoints. This feature allows to print the names of the outlier points (if any).

  • --y Target_values: Name of the column containing the response y values.

  • --csv_name Robert_example.csv: CSV with the database.

Execution time and versions

Time: ~3.5 min

System: 8 processors (11th Gen Intel(R) Core(TM) i7-1165G7 @ 2.80GHz) using 16.0 GB RAM memory

ROBERT version: 2.0.1

scikit-learn-intelex version: 2025.2.0

Results

A PDF file called ROBERT_report.pdf should be created in the folder where ROBERT was executed. The PDF file can be visualized here: pdf_report_test

The PDF report contains all the results of the workflow. In this case, two Neural Network (NN) models were the optimal model found from:

  • Four different models (Gradient Boosting GB, MultiVariate Linear MVL, Neural Network NN, Random Forest RF)

The first part of the PDF file is shown below as a preview:

pdf_preview