Modeling Grain Biochemical Composition Traits of Commercial Sorghum Hybrids under Diverse Management Practices

Boubacar Gano¹Marie de Gracia Coquerel¹Jocelyn Saxton¹Nathaniel Eck¹Kamaranga H. Shantha Peiris²Scott Bean²Jaccob Stanton¹Nurzaman Ahmed¹Nadia Shakoor^1*

• ¹Donald Danforth Plant Science Center, St Louis, United States
• ²Grain Quality and Structure Research Unit, Center for Grain and Animal Health Research, USDA-ARS, Manhattan, KS 66502, USA, Manhattan, KS, United States

Sorghum (Sorghum bicolor (L.) Moench) is a vital cereal crop for food, feed, and biofuel production. Accurate estimation of grain biochemical composition, crude protein (CP), lysine from grain (LysG) and protein (LysP), starch (SC), amylose from grain (AMLG) and starch (AMLS), and crude fat (CF), is crucial for improving breeding and management strategies. Our aim is not pre-harvest forecasting but reducing laboratory cost by identifying a minimal set of post-harvest measurements required to estimate other grain composition traits accurately. We used machine learning (ML) models to predict grain quality traits in commercial sorghum hybrids under different management practices, including precision nitrogen application, cover cropping, and no-till methods. Multi-year field trials (2023–2024) in Saint Charles, Missouri, integrated agronomic, physiological, UAV-based, and environmental data for model training and validation. Phenotypic analysis showed that grain composition traits varied significantly by year and management practices. Among ML models, LASSO and ElasticNet achieved the highest predictive accuracy for crude protein (R² = 0.90) and amylose content (AMLS, R² = 0.99; AMLG, R² = 0.92). Bayesian Ridge was most effective for lysine from protein (R² = 0.64), while Partial Least Squares (PLS) excelled in starch content prediction (R² = 0.80). The correlation between grain composition (LysP, CF) and photosystem II efficiency (PhiPS2) indicated that enhanced photosynthesis and yield promote their accumulation. However, Partial Dependence Plots (PDPs) revealed strong non-linear effects, where slight variations in leaf temperature (Tleaf) and stomatal conductance (gsw) were associated with significant shifts in amylose content. This study highlights the role of genotype × management interactions in sorghum breeding and demonstrates the value of integrating ML-driven models to enhance grain quality and precision agriculture strategies.