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本文基于第一性原理思想, 采用量子动力学方法对机器学习的迭代运动过程进行建模. 在机器学习的参数空间定义广义目标函数, 利用Schrödinger方程和势能等效得到机器学习过程的量子动力学方程, 通过Wick转动进一步建立了量子动力学与热动力学的关系, 这为利用物理理论和数学理论对机器学习的迭代过程进行研究提供了可能. 本文工作将机器学习的迭代过程转化为含时偏微分方程来进行精确数学表述, 该方程表明机器学习过程可能存在多尺度的退火过程和同一尺度下的时间演化过程. 利用量子动力学方程我们证明了机器学习在时间演化时的收敛性, 解释了机器学习中的扩散模型是量子动力学方程在经典近似和低阶泰勒近似下的映射模型, 导出了人工智能中常用的Softmax和Sigmoid函数. 这些结果表明量子动力学方法在研究机器学习理论中是有效的.In order to solve the current lack of rigorous theoretical models in the machine learning process, in this paper the iterative motion process of machine learning is modeled by using quantum dynamic method based on the principles of first-principles thinking. This approach treats the iterative evolution of algorithms as a physical motion process, defines a generalized objective function in the parameter space of machine learning algorithms, and regards the iterative process of machine learning as the process of seeking the optimal value of this generalized objective function. In physical terms, this process corresponds to the system reaching its ground energy state. Since the dynamic equation of a quantum system is the Schrödinger equation, we can obtain the quantum dynamic equation that describes the iterative process of machine learning by treating the generalized objective function as the potential energy term in the Schrödinger equation. Therefore, machine learning is the process of seeking the ground energy state of the quantum system constrained by a generalized objective function. The quantum dynamic equation for machine learning transforms the iterative process into a time-dependent partial differential equation for precise mathematical representation, enabling the use of physical and mathematical theories to study the iterative process of machine learning. This provides theoretical support for implementing the iterative process of machine learning by using quantum computers. In order to further explain the iterative process of machine learning on classical computers by using quantum dynamic equation, the Wick rotation is used to transform the quantum dynamic equation into a thermodynamic equation, demonstrating the convergence of the time evolution process in machine learning. The system will be transformed into the ground energy state as time approaches infinity. Taylor expansion is used to approximate the generalized objective function, which has no analytical expression in the parameter space. Under the zero-order Taylor approximation of the generalized objective function, the quantum dynamic equation and thermodynamic equation for machine learning degrade into the free-particle equation and diffusion equation, respectively. This result indicates that the most basic dynamic processes during the iteration of machine learning on quantum computers and classical computers are wave packet dispersion and wave packet diffusion, respectively, thereby explaining, from a dynamic perspective, the basic principles of diffusion models that have been successfully utilized in the generative neural networks in recent years. Diffusion models indirectly realize the thermal diffusion process in the parameter space by adding Gaussian noise to and removing Gaussian noise from the image, thereby optimizing the generalized objective function in the parameter space. The diffusion process is the dynamic process in the zero-order approximation of the generalized objective function. Meanwhile, we also use the thermodynamic equation of machine learning to derive the Softmax function and Sigmoid function, which are commonly used in artificial intelligence. These results show that the quantum dynamic method is an effective theoretical approach to studying the iterative process of machine learning, which provides a rigorous mathematical and physical model for studying the iterative process of machine learning on both quantum computers and classical computers.
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Keywords:
- quantum dynamics /
- machine learning /
- diffusion model /
- Schrödinger equation
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