The morphology and structure of wheat plants are intricate, containing numerous tillers, rich details, and significant cross-obscuration. Methods of effectively reconstructing three-dimensional (3D) models of wheat plants that reflects the varietal architectural differences using measured data is challenging in plant phenomics and functional–structural plant models. This paper proposes a 3D reconstruction technique for wheat plants that integrates point cloud data and virtual design optimization. The approach extracted single stem number, growth position, length, and inclination angle from the point cloud data of a wheat plant. It then built an initial 3D mesh model of the plant by integrating a wheat 3D phytomer template database with variety resolution. Diverse 3D wheat plant models were subsequently virtually designed by iteratively modifying the leaf azimuth, based on the initial model. Using the 3D point cloud of the plant as the overall constraint and setting the minimum Chamfer distance between the point cloud and the mesh model as the optimization objective, we obtained the optimal 3D model as the reconstruction result of the plant through continuous iterative calculation. The method was validated using 27 winter wheat plants, with nine varieties and three replicates each. The R2 values between the measured data and the reconstructed plants were 0.80, 0.73, 0.90, and 0.69 for plant height, crown width, plant leaf area, and coverage, respectively. Additionally, the Normalized Root Mean Squared Errors (NRMSEs) were 0.10, 0.12, 0.08, and 0.17, respectively. The Mean Absolute Percentage Errors (MAPEs) used to investigate the vertical spatial distribution between the reconstructed 3D models and the point clouds of the plants ranged from 4.95% to 17.90%. These results demonstrate that the reconstructed 3D model exhibits satisfactory consistency with the measured data, including plant phenotype and vertical spatial distribution, and accurately reflects the characteristics of plant architecture and spatial distribution for the utilized wheat cultivars. This method provides technical support for research on wheat plant phenotyping and functional–structural analysis.
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