arXiv:2505.04514quant-phcond-mat.stat-mech2025-05被引 10

用量子热力学视角优化能量,加速求解半定规划问题。

Quantum thermodynamics and semi-definite optimization

  • 以杰恩斯思想为启发,将自由能最小化转化为对偶化学势的凹最大化。
  • 在低温下自由能逼近最低能量,且可快速收敛至最优解。
  • 适用于经典与量子混合算法,为经典优化方法提供物理解释。

在量子热力学中,系统由哈密顿量和一组非对易守恒量(如粒子数或电荷)描述,关键目标是确定存在这些守恒量时系统的最低能量。在优化理论中,半定规划(SDP)是在正半定算子锥与仿射空间交集上优化线性目标函数的问题。尽管物理与优化领域动机不同、术语各异,但数学本质相同。借鉴杰恩斯的思想,我们发现将自由能最小化而非能量,可导出一个关于对偶化学势的凹最大化问题,该问题可通过标准(随机)梯度上升法求解,且保证快速收敛。在低温下,最小自由能极好地逼近最小能量。我们进一步展示此方法可用于一阶与二阶经典及量子-经典混合算法来最小化能量,等价于求解SDP,并给出算法运行时间的保证。该方法根植于量子热力学,为五十年前杰恩斯工作后提出的诸多算法(如矩阵乘性权重更新、矩阵指数梯度更新及其量子推广)为何高效求解SDP提供了物理依据。

原文摘要 · Abstract (English)

In quantum thermodynamics, a system is described by a Hamiltonian and a list of non-commuting charges representing conserved quantities like particle number or electric charge, and an important goal is to determine the system's minimum energy in the presence of these conserved charges. In optimization theory, a semi-definite program (SDP) involves a linear objective function optimized over the cone of positive semi-definite operators intersected with an affine space. These problems arise from differing motivations in the physics and optimization communities and are phrased using very different terminology, yet they are essentially identical mathematically. By adopting Jaynes' mindset motivated by quantum thermodynamics, we observe that minimizing free energy in the aforementioned thermodynamics problem, instead of energy, leads to an elegant solution in terms of a dual chemical potential maximization problem that is concave in the chemical potential parameters. As such, one can employ standard (stochastic) gradient ascent methods to find the optimal values of these parameters, and these methods are guaranteed to converge quickly. At low temperature, the minimum free energy provides an excellent approximation for the minimum energy. We then show how this Jaynes-inspired gradient-ascent approach can be used in both first- and second-order classical and hybrid quantum-classical algorithms for minimizing energy, and equivalently, how it can be used for solving SDPs, with guarantees on the runtimes of the algorithms. The approach discussed here is well grounded in quantum thermodynamics and, as such, provides physical motivation underpinning why algorithms published fifty years after Jaynes' seminal work, including the matrix multiplicative weights update method, the matrix exponentiated gradient update method, and their quantum algorithmic generalizations, perform well at solving SDPs.

量子热力学半定规划优化算法梯度上升

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