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Team2 - GiacomoFabrini#21

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GiacomoFabrini wants to merge 7 commits intostevenkbennett:mainfrom
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Team2 - GiacomoFabrini#21
GiacomoFabrini wants to merge 7 commits intostevenkbennett:mainfrom
GiacomoFabrini:main

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Optimised XGB Regressor via Randomised CV Search

Optimised XGB Regressor via Randomised CV Search
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Task 1 Prediction - Adsorption Energy (No Coordinate Data

Mean Absolute Error: 0.358
R2: 0.529
Normalised Mean Absolute Error (Assessed): 0.39
Points: 17

Task 2 Prediction - Adsorption Energy (Coordinate Data)

No results submitted for task 2 prediction

Optimised XGB Regressor ensembles with other regressor (see Erik), then trained on the overall training dataset
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Task 1 Prediction - Adsorption Energy (No Coordinate Data

Mean Absolute Error: 0.293
R2: 0.678
Normalised Mean Absolute Error (Assessed): 0.319
Points: 22

Task 2 Prediction - Adsorption Energy (Coordinate Data)

No results submitted for task 2 prediction

Removed XGB Regressor
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Task 1 Prediction - Adsorption Energy (No Coordinate Data

Mean Absolute Error: 0.287
R2: 0.692
Normalised Mean Absolute Error (Assessed): 0.313
Points: 22

Task 2 Prediction - Adsorption Energy (Coordinate Data)

No results submitted for task 2 prediction

XGB regressor with feature engineering
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Task 1 Prediction - Adsorption Energy (No Coordinate Data

Mean Absolute Error: 0.289
R2: 0.653
Normalised Mean Absolute Error (Assessed): 0.314
Points: 22

Task 2 Prediction - Adsorption Energy (Coordinate Data)

No results submitted for task 2 prediction

Ensemble with SVR, NuSVR, XGB after GridSearchCV
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Task 1 Prediction - Adsorption Energy (No Coordinate Data

Mean Absolute Error: 0.815
R2: -0.647
Normalised Mean Absolute Error (Assessed): 0.887
Points: 1

Task 2 Prediction - Adsorption Energy (Coordinate Data)

No results submitted for task 2 prediction

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Task 1 Prediction - Adsorption Energy (No Coordinate Data

Mean Absolute Error: 0.265
R2: 0.714
Normalised Mean Absolute Error (Assessed): 0.288
Points: 24

Task 2 Prediction - Adsorption Energy (Coordinate Data)

No results submitted for task 2 prediction

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Task 1 Prediction - Adsorption Energy (No Coordinate Data

Mean Absolute Error: 0.265
R2: 0.714
Normalised Mean Absolute Error (Assessed): 0.288
Points: 24

Task 2 Prediction - Adsorption Energy (Coordinate Data)

Mean Absolute Error: 0.636
R2: -0.04
Normalised Mean Absolute Error (Assessed): 0.692
Points: 3

@GiacomoFabrini GiacomoFabrini changed the title Add files via upload Team2 - GiacomoFabrini Apr 28, 2022
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