AI-driven multiscale virtual plant cell modeling: from molecular mechanisms to tissue functions.

Abstract

Main conclusion: AI-driven multiscale virtual plant cell modeling represents a paradigm shift in plant systems biology, enabling predictive simulation from molecular mechanisms to tissue functions and accelerating the engineering of climate-resilient crops. AI-driven multiscale virtual plant cell modeling is emerging as a pivotal paradigm for deciphering complex biological processes in plants. By integrating dynamic processes across molecular, subcellular, and tissue scales, this framework enables systematic simulation from protein interaction prediction to emergent tissue functions, significantly enhancing our understanding of plant environmental responses and developmental mechanisms. This review comprehensively summarizes key technological advances in multiscale modeling, including neural network-assisted molecular interaction prediction, virtual plant tissue simulator construction, deep vision-based 3D reconstruction techniques, and cross-scale dynamic coupling algorithms. It highlights the application value of generative adversarial networks (GANs), transfer learning, and multi-omics integration strategies in addressing data scarcity and cross-species modeling challenges. The review also discusses validation methodologies such as in vitro experimental verification, evolutionary conservation analysis, and uncertainty quantification. In applied contexts, multiscale modeling offers novel insights for plant metabolic engineering, developmental programming simulation, and stress response prediction, while identifying current bottlenecks in parameter transfer accuracy, model interpretability, and computational efficiency. Future directions, including quantum computing-enabled real-time simulation, agricultural digital twin systems, and brain-inspired autonomous models, are explored. The central role of AI technologies in transitioning plant systems biology from descriptive to predictive and engineering-oriented paradigms is emphasized.