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Enterprise AI Analysis: Data driven prediction of reservoir rock wettability in shale using deep learning and gene expression programming for CCUS

Enterprise AI Analysis

Data driven prediction of reservoir rock wettability in shale using deep learning and gene expression programming for CCUS

Accurately predicting reservoir rock wettability is important for CO2 retention, migration, and carbon storage. It directly affects the long-term stability of CO2 in shale reservoirs for carbon sequestration and enhanced oil and gas recovery. However, traditional laboratory methods for assessing wettability are slow and complex due to the heterogeneity of shale. That's why to address these challenges, this study uses Transformer, AdaBoost, and Stacking ensemble model to predict the contact angle (CA) using key parameters such as NaCl (M), Quartz (wt%), Carbonate (wt%), Clay (wt%), TOC (%), Pressure (MPa), Temperature (K), Permeability (md), and Porosity (%). The Transformer model showed the highest predictive accuracy (R2 =0.9959) with the lowest RMSE (1.7866) and MAE (1.1760). Moreover, the Taylor diagram, residual plot analysis, and computational time also confirmed its superiority over the other two models. Additionally, a Gene Expression Programming (GEP) model was developed to provide an explicit symbolic correlation for predicting CA, thereby avoiding the need for repeated model training. The resulting GEP equation demonstrated strong predictive quality (R2=0.9949 and 0.9862; RMSE =2.26 and 3.80; MAE = 1.70 and 2.31 for training and validation), validating both reproducibility and interpretability. The Transformer technique, along with the GEP approach, is a novel contribution to shale wettability modeling. Furthermore, a sensitivity analysis identified temperature as the most influential factor, while Quartz, carbonate, clay, TOC, and pressure also affected CA, confirmed by SHAP and trend analyses.

Executive Impact at a Glance

0.9959 Transformer Model Test R²
1.7866 Lowest Test RMSE
1.1760 Lowest Test MAE
3.1s Fastest Computational Time

Deep Analysis & Enterprise Applications

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This section details the comparative performance of the advanced machine learning models (Transformer, Stacking Ensemble, AdaBoost) and the Gene Expression Programming (GEP) model in predicting Contact Angle (CA) for shale reservoirs. The Transformer model consistently outperformed others across key metrics, demonstrating superior accuracy and robustness.

0.9959 Transformer Model Test R²
Model RMSE MAE Comp. Time (s)
Transformer 0.9959 1.7866 1.1760 3.1
GEP 0.9862 3.8027 2.3141 5.5
Stacking Ensemble 0.9772 4.9335 3.7353 4.1
AdaBoost 0.8253 13.6667 11.2829 7.2

Gene Expression Programming (GEP) provides a symbolic correlation, offering an explicit mathematical equation for predicting Contact Angle (CA) without needing to retrain complex ML models. This enhances interpretability and reproducibility in reservoir engineering.

GEP Model Development Process

Start
Generate initial population
Evaluate fitness function
Criterion satisfied?
Selection, crossover and mutation
Chromosomes for next generation
End GEP

GEP Equation for CA Prediction

The optimal GEP-based model yielded the following simplified formula for contact angle (CA):

CA = log10 (NaCl) + 0.771T + 1.021P + 1.021Carbonate + 0.5Quartz + 1.375TOC – 1.125Clay + 196.704 + Porosity - (((Clay - 2) T) log10 (TOC+K)) + K((4(Quartz³ – T²)) / (P+Quartz – 4.114) + T)

This explicit formula ensures reproducibility of CA estimations based on reservoir parameters without rerunning ML models.

Understanding which reservoir parameters most significantly influence shale wettability is crucial for effective CO2 storage. Sensitivity analysis and SHAP (SHapley Additive exPlanations) analysis identified the most influential factors.

Temperature (K) Most Influential Factor

Top Influential Parameters

The SHAP analysis confirmed that Temperature (K) is the most significant parameter for predicting contact angle, showing a positive correlation (as temperature increases, contact angle increases). Other influential factors include Clay (wt%) (inverse relationship), and Carbonate (wt%), Quartz (wt%), TOC (%), and Pressure (MPa) (positive correlations).

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Your AI Implementation Roadmap

A structured approach to integrate advanced AI models, from data preparation to strategic deployment and ongoing optimization.

Phase 1: Data Acquisition & Preprocessing

Collect diverse datasets for NaCl, Quartz, Carbonate, Clay, TOC, Pressure, Temperature, Permeability, and Porosity. Apply outlier detection and normalization.

Phase 2: Model Training & Optimization

Train Transformer, AdaBoost, and Stacking Ensemble models with a 5-fold cross-validation. Fine-tune hyperparameters for optimal performance and generalization.

Phase 3: GEP Model Development

Develop a Gene Expression Programming (GEP) model to derive an explicit, interpretable mathematical equation for Contact Angle (CA) based on input parameters.

Phase 4: Comparative Validation

Rigorously compare all models (Transformer, Stacking, AdaBoost, GEP) using R², RMSE, MAE, Taylor diagrams, and residual plots to identify the best predictive approach.

Phase 5: Sensitivity & SHAP Analysis

Conduct feature selection (filter, embedded, wrapper methods) and SHAP analysis to identify and validate the most influential parameters affecting CA, ensuring model interpretability.

Phase 6: Deployment & Integration

Deploy the best-performing model (Transformer) or the GEP equation for real-time CA prediction in CCUS applications, enabling efficient CO2 storage planning.

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