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Optimizing Distillation Column Yield Using Historical Data

dist_tower_na.txt

Missing file

You have been assigned to a project where the goal is to maximize the yield of a distillation column. Process engineers from the site were able to stabilize the yield recently but the baseline is now lower than before.

As a data scientist, your task is to optimize the yield using historical data.
Data has been extracted and put in a csv
We will have a team meeting in about 30 min
The dataset has been successfully loaded. Here are the first few rows of the data:
DateyieldOC1Temp11Temp12PressureC1TempC1Temp1FlowC1Temp2...FlowC9FlowC2Temp9Temp10FlowC3FlowC4VapourPressure
2016-08-21T00:00:0069.4006233.103330.8983489.99215.0627100.2204139.9857432.0636377.8119...86.613369.9017461.2371513.96538.627910.598832.5026
2016-08-23T00:00:0066.5326664.740831.9099480.2888205.0999100.2297131.0470487.4029371.3060...97.610069.6900450.3000504.51458.766210.7560NaN
2016-08-26T00:00:0071.1021934.292529.9165486.6190205.0304100.3084118.2666437.3516NaN...88.496770.5867458.8101508.99978.531910.573732.1666
2016-08-29T00:00:0069.7934814.455830.6229491.1304205.256195.5766118.1769481.8314378.0028...95.348370.2167462.5252514.17948.626010.669530.4064
2016-08-30T00:00:0071.4895163.460029.4977487.6475205.088392.9052120.7891NaN377.8871...82.953369.6567NaN511.09488.5939NaN30.9238
The dataset contains 25 columns, including the yield and various process parameters.
Next Steps:
  1. Data Cleaning: Handle missing values and ensure data consistency.
  2. Exploratory Data Analysis (EDA): Understand the relationships between yield and other variables.
  3. Feature Engineering: Create new features if necessary.
  4. Modeling: Build predictive models to optimize yield.
Would you like to proceed with data cleaning or start with exploratory data analysis (EDA)?

What are the key factors affecting the yield?

The correlation matrix heatmap has been displayed above. This heatmap shows the correlation between different variables in the dataset.
Key Factors Affecting Yield:
From the heatmap, we can observe the correlation values between the yield and other variables. The variables with higher absolute correlation values (positive or negative) are likely to have a significant impact on the yield.
Some key factors that might be affecting the yield include:
  1. OC1: Shows a moderate positive correlation with yield.
  2. Temp11: Shows a moderate negative correlation with yield.
  3. PressureC1: Shows a moderate positive correlation with yield.
  4. FlowC1: Shows a moderate positive correlation with yield.
  5. TempC1: Shows a moderate negative correlation with yield.
These variables are good candidates for further analysis and modeling to optimize the yield.
Would you like to proceed with building a predictive model to optimize the yield or perform further exploratory data analysis?

Can you build a predictive model to optimize the yield?

The RandomForestRegressor model has been trained and evaluated. Here are the results:
Model Performance:
  • Mean Squared Error (MSE): 0.709
  • R-squared (R²): 0.349
Feature Importances:
FeatureImportance
Temp10.304
FlowC10.214
FlowC90.068
Temp40.046
TempC30.045
TempC10.035
PressureC10.034
Temp70.028
OC10.027
Temp20.026
FlowC20.025
Temp110.022
FlowC30.021
FlowC40.020
VapourPressure0.020
Temp80.017
Temp90.011
Temp100.008
TempC20.007
Temp50.007
Temp30.007
Temp60.006
Temp120.004
The most important features affecting the yield are Temp1, FlowC1, and FlowC9.
Would you like to proceed with further optimization or any other analysis?

Can you visualize the feature importances?

Can you suggest ways to further optimize the yield?

To further optimize the yield, consider the following steps:
  1. Feature Engineering:
    • Create new features based on domain knowledge. For example, interaction terms between temperature and pressure might be significant.
    • Use polynomial features to capture non-linear relationships.
  2. Hyperparameter Tuning:
    • Perform hyperparameter tuning on the RandomForestRegressor model using techniques like Grid Search or Random Search to find the best parameters.
  3. Advanced Modeling Techniques:
    • Experiment with other machine learning models such as Gradient Boosting Machines (GBM), XGBoost, or Neural Networks.
    • Use ensemble methods to combine predictions from multiple models.
  4. Cross-Validation:
    • Use cross-validation techniques to ensure the model's robustness and avoid overfitting.
  5. Data Augmentation:
    • If possible, collect more data to improve the model's performance.
    • Use synthetic data generation techniques to augment the dataset.
  6. Domain-Specific Adjustments:
    • Consult with domain experts to understand the underlying processes better and incorporate their insights into the model.
  7. Regular Monitoring and Updating:
    • Continuously monitor the model's performance and update it with new data to maintain its accuracy.
Would you like to proceed with any of these steps or have any specific area you want to focus on?

Can you try using a different machine learning model like XGBoost?

The XGBoost model has been trained and evaluated. Here are the results:
Model Performance:
  • Mean Squared Error (MSE): 0.881
  • R-squared (R²): 0.190
Feature Importances:
FeatureImportance
FlowC10.275
Temp10.181
TempC20.078
FlowC90.072
TempC30.070
PressureC10.048
TempC10.037
Temp20.032
VapourPressure0.031
Temp90.025
Temp60.022
FlowC40.021
Temp40.017
Temp30.013
Temp110.013
OC10.012
Temp70.011
FlowC20.010
Temp120.010
FlowC30.009
Temp100.006
Temp80.005
Temp50.004
The most important features affecting the yield according to the XGBoost model are FlowC1, Temp1, and TempC2.
Would you like to visualize the feature importances or proceed with further optimization steps?

Can you visualize the predictions of the XGBoost model?

can you make a shap plot?

Can you explain the SHAP plot in more detail?

The SHAP summary plot provides a comprehensive view of the impact of each feature on the model's predictions. Here's a detailed explanation:
  1. Feature Importance:
    • The features are listed on the y-axis in descending order of importance. The most important feature is at the top.
  2. SHAP Values:
    • The x-axis represents the SHAP values, which indicate the impact of each feature on the model's output. A positive SHAP value means the feature increases the prediction, while a negative SHAP value means it decreases the prediction.
  3. Color Coding:
    • Each dot represents a single prediction (row) from the dataset. The color of the dot indicates the value of the feature from low (blue) to high (red).
  4. Distribution of SHAP Values:
    • The spread of the dots along the x-axis shows the distribution of the SHAP values for each feature. A wider spread indicates a higher impact on the model's predictions.
  5. Interaction Effects:
    • The plot can also reveal interaction effects between features. For example, if a feature has a high SHAP value only when another feature is at a certain level, this interaction can be observed in the plot.
In summary, the SHAP summary plot helps to understand which features are most influential in the model's predictions and how they affect the output. It provides both global and local interpretability of the model.

with the analysis done so far, please make an executive summary for my meeting with process engineers

Executive Summary: Yield Prediction Analysis for Distillation Tower

Overview

This analysis aims to predict the yield of a distillation tower using various process variables. We utilized an XGBoost regression model to understand the key factors influencing the yield and to make accurate predictions.

Data Summary

  • Dataset: The dataset contains various process variables recorded over time, including temperatures, pressures, and flow rates.
  • Total Features: 24 (excluding the date and yield columns)
  • Target Variable: Yield

Key Findings

Correlation Analysis

  • A correlation matrix was generated to understand the relationships between different process variables.
  • Key observations include strong correlations between certain temperature and flow variables, indicating potential areas for process optimization.

Model Performance

  • Model Used: XGBoost Regressor
  • Mean Squared Error (MSE): 0.881
  • R-squared (R²): 0.190
The model's performance indicates that while it captures some variability in the yield, there is room for improvement. The R² value suggests that approximately 19% of the variance in yield is explained by the model.

Feature Importance

The most important features affecting the yield according to the XGBoost model are:
  1. FlowC1 (Importance: 0.275)
  2. Temp1 (Importance: 0.181)
  3. TempC2 (Importance: 0.078)
  4. FlowC9 (Importance: 0.072)
  5. TempC3 (Importance: 0.070)

SHAP Analysis

  • SHAP (SHapley Additive exPlanations) values were used to interpret the model's predictions.
  • The SHAP summary plot provides a detailed view of the impact of each feature on the model's output.
  • Key insights include the significant influence of FlowC1 and Temp1 on yield predictions, with FlowC1 having the highest impact.

Recommendations

  1. Focus on Key Variables: Given the importance of FlowC1 and Temp1, process engineers should prioritize monitoring and optimizing these variables to improve yield.
  2. Further Model Optimization: Consider additional feature engineering and model tuning to improve the predictive performance.
  3. Regular Monitoring: Implement real-time monitoring of key variables to ensure they remain within optimal ranges.

Visualizations

  • Correlation Matrix: Provides an overview of relationships between process variables.
  • Feature Importances: Highlights the most influential features for yield prediction.
  • SHAP Summary Plot: Offers detailed interpretability of the model's predictions.

Conclusion

This analysis provides a foundational understanding of the factors influencing distillation tower yield. By focusing on key variables and further optimizing the model, process engineers can make data-driven decisions to enhance yield and overall process efficiency.
Would you like to explore any specific aspect further or need additional visualizations?

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