arXiv:2409.15166stat.MLcs.LG2024-09被引 11

通过谐振子映射实现高效概率采样,无需神经网络

Harmonic Path Integral Diffusion

  • 将采样问题转化为路径积分控制,利用量子谐振子解析解
  • 在混合高斯和CIFAR-10上验证,采样精度与效率优于传统方法
  • 透明可解释,能提前识别采样完成的临界时刻

本文提出一种从连续多变量概率分布中采样的新方法,该分布可显式给出(忽略归一化常数)或由经验样本表示。方法构建一个时间依赖的桥接过程:在 t=0 时从状态空间原点的狄拉克δ函数出发,最优地演化为 t=1 时的目标分布。我们将此建模为路径积分控制型随机最优控制问题,成本函数包含二次控制项、二次状态项及终端约束。该框架称为谐振子路径积分扩散(H-PID),通过将问题映射到虚时量子谐振子,获得解析解。H-PID产生一系列高效采样算法,无需神经网络。在标准任务——网格上的高斯混合模型和CIFAR-10图像上进行了验证。方法的透明性使我们得以深入分析,发现当前加权状态是动态相变的序参量,能在 t<1 时即提前指示采样过程基本完成。与模拟退火和路径积分采样相比,该方法在解析控制性、准确性和计算效率方面表现更优。此外,方法扩展至含外力(可能非保守)和规范势项的更一般情形。

原文摘要 · Abstract (English)

In this manuscript, we present a novel approach for sampling from a continuous multivariate probability distribution, which may either be explicitly known (up to a normalization factor) or represented via empirical samples. Our method constructs a time-dependent bridge from a delta function centered at the origin of the state space at $t=0$, optimally transforming it into the target distribution at $t=1$. We formulate this as a Stochastic Optimal Control problem of the Path Integral Control type, with a cost function comprising (in its basic form) a quadratic control term, a quadratic state term, and a terminal constraint. This framework, which we refer to as Harmonic Path Integral Diffusion (H-PID), leverages an analytical solution through a mapping to an auxiliary quantum harmonic oscillator in imaginary time. The H-PID framework results in a set of efficient sampling algorithms, without the incorporation of Neural Networks. The algorithms are validated on two standard use cases: a mixture of Gaussians over a grid and images from CIFAR-10. The transparency of the method allows us to analyze the algorithms in detail, particularly revealing that the current weighted state is an order parameter for the dynamic phase transition, signaling earlier, at $t<1$, that the sample generation process is almost complete. We contrast these algorithms with other sampling methods, particularly simulated annealing and path integral sampling, highlighting their advantages in terms of analytical control, accuracy, and computational efficiency on benchmark problems. Additionally, we extend the methodology to more general cases where the underlying stochastic differential equation includes an external deterministic, possibly non-conservative force, and where the cost function incorporates a gauge potential term.

采样算法路径积分概率建模

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