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Interest in sustainable farming approaches has surged, especially within hyper-arid environments where acute water shortages make food security a pressing priority. This increased focus arises from the goal of agricultural independence in light of geopolitical volatility, rising population numbers, climate disruption, and the drive to decrease reliance on imported food. The present work investigates novel, data-centric methods specifically engineered for agriculture under such demanding circumstances, concentrating on the exploitation of CO₂ enrichment to amplify resource efficiency by accelerating plant development and fine-tuning input application within closed greenhouse structures. Within this study, a data-driven model predictive control (MPC) system is deployed in a greenhouse context to refine irrigation timing. The primary emphasis lies in harnessing the capability of an extreme gradient boosting (XGBoost) model to project real-time transpiration fluxes, accounting for the complex interdependencies between microclimatic variables and physiological shifts that influence transpiration. The XGBoost framework is designed to ingest microclimate observations—namely solar radiation, internal air temperature, internal relative humidity, and internal CO₂ molar fraction—as well as vegetation indices extracted from hyperspectral reflectance measurements, including NDVI, WBI, and PRI, all serving as forecasting inputs. The predictive model achieved strong fidelity, registering an R² of 97.1% alongside an RMSE of 0.417 mmol/m²/s for transpiration rate estimation. The trained XGBoost is subsequently embedded into the MPC scheme to steer irrigation delivery while upholding target soil water status. This integrated controller is then applied to govern watering tactics across two differing CO₂ supplementation settings: 400 ppm and 1000 ppm. Outcomes from this work reveal that the MPC-driven irrigation regime yields a 42.2% reduction in water use across a one-week forecast horizon when contrasted with the baseline irrigation protocol, irrespective of CO₂ level. Moreover, operating the MPC controller under the distinct CO₂ regimes shows a 34% decrease in water consumption at the 1000 ppm enrichment level relative to the 400 ppm condition. These findings highlight the value of MPC within enclosed greenhouse facilities, stressing the gains offered by advanced predictive analytics, multi-source data fusion, and continuous receding-horizon optimization for realizing superior irrigation regulation. The work equally accentuates the role of CO₂ fertilization in sealed agricultural greenhouses—particularly in zones subject to intense solar irradiance—as a potent measure for curbing water expenditure.