Xiao Yijun, Rodríguez-Patón Alfonso, Wang Jianmin, Zheng Pan, Ma Tongmao, Song Tao
Qingdao Institute of Software, College of Computer Science and Technology, China University of Petroleum, Qingdao, 266580, China.
Departamento de Inteligencia Artificial, ETSIINF, Universidad Politécnica de Madrid, Madrid, 28040, Spain.
Adv Sci (Weinh). 2025 Sep;12(33):e07060. doi: 10.1002/advs.202507060. Epub 2025 Jun 25.
Partial differential equations, essential for modeling dynamic systems, persistently confront computational complexity bottlenecks in high-dimensional problems, yet DNA-based parallel computing architectures, leveraging their discrete mathematics merits, provide transformative potential by harnessing inherent molecular parallelism. This research introduces an augmented matrix-based DNA molecular neural network to achieve molecular-level solving of biological Brusselator PDEs. Two crucial innovations address existing technological constraints: (i) an augmented matrix-based error-feedback DNA molecular neural network, enabling multidimensional parameter integration through DNA strand displacement cascades and iterative weight optimization; (ii) incorporating membrane diffusion theory with division operation principles into DNA circuits to develop partial differential calculation modules. Simulation results demonstrate that the augmented matrix-based DNA neural network efficiently and accurately learns target functions; integrating the proposed partial derivative computation strategy, this architecture solves the biological Brusselator PDE numerically with errors below 0.02 within 12,500 s. This work establishes a novel intelligent non-silicon-based computational framework, providing theoretical foundations and potential implementation paradigms for future bio-inspired computing and unconventional computing devices in life science research.
偏微分方程对于动态系统建模至关重要,但在高维问题中一直面临计算复杂性瓶颈。而基于DNA的并行计算架构利用其离散数学优势,通过利用固有的分子并行性提供了变革潜力。本研究引入了一种基于增广矩阵的DNA分子神经网络,以实现生物布鲁塞尔振子偏微分方程的分子水平求解。两项关键创新解决了现有技术限制:(i)基于增广矩阵的误差反馈DNA分子神经网络,通过DNA链置换级联和迭代权重优化实现多维参数整合;(ii)将膜扩散理论与除法运算原理纳入DNA电路,以开发偏微分计算模块。仿真结果表明,基于增广矩阵的DNA神经网络能够高效准确地学习目标函数;结合所提出的偏导数计算策略,该架构在12500秒内以低于0.02的误差数值求解了生物布鲁塞尔振子偏微分方程。这项工作建立了一个新颖的基于非硅的智能计算框架,为生命科学研究中未来的生物启发计算和非常规计算设备提供了理论基础和潜在的实现范例。