arXiv:2509.11284cs.LGphysics.comp-ph2025-09

用物理约束神经网络实现单步生成,速度比现有方法快10倍以上。

PINGS: Physics-Informed Neural Network for Fast Generative Sampling

  • 训练神经网络逼近扩散过程的反向动力学,采样只需一次前向计算。
  • 在RTX 3090上生成1万样本仅需16.54毫秒,误差极小(MMD²=0.0188)。
  • 适合需要快速生成且需可解释性的科学模拟场景,如热力学建模。

我们提出PINGS(Physics-Informed Neural Network for Fast Generative Sampling),一种通过训练物理信息神经网络来近似反向时间概率流动力学,将扩散采样过程退化为单次前向传播(NFE = 1)的框架。作为概念验证,我们学习从三维标准正态分布到非高斯混合模型(GMM)的直接映射。PINGS保持了目标分布结构,均值、协方差、偏度和峰度误差极小,多带宽核MMD² = 1.88 × 10⁻²。在RTX 3090上,生成10⁴个样本耗时仅16.54 ± 0.56毫秒,远快于DPM-Solver(10/20)的468–843毫秒和DDIM(50)的960毫秒。同时,在阻尼谐振子上对PINN/自动微分管道进行验证,均方误差降至10⁻⁵量级。相比快速但迭代的常微分方程求解器与直接映射方法(Flow、Rectified-Flow、Consistency),PINGS将生成采样视为带有端点约束的PINN残差问题,实现白盒、可微映射,且NFE=1。这些初步结果表明,PINGS是实现快速、函数化生成采样的有前景路径,未来可扩展至科学仿真(如快速量热法)。

原文摘要 · Abstract (English)

We introduce PINGS (Physics-Informed Neural Network for Fast Generative Sampling), a framework that amortizes diffusion sampling by training a physics-informed network to approximate reverse-time probability-flow dynamics, reducing sampling to a single forward pass (NFE = 1). As a proof of concept, we learn a direct map from a 3D standard normal to a non-Gaussian Gaussian Mixture Model (GMM). PINGS preserves the target's distributional structure (multi-bandwidth kernel $MMD^2 = 1.88 \times 10^{-2}$ with small errors in mean, covariance, skewness, and excess kurtosis) and achieves constant-time generation: $10^4$ samples in $16.54 \pm 0.56$ millisecond on an RTX 3090, versus 468-843 millisecond for DPM-Solver (10/20) and 960 millisecond for DDIM (50) under matched conditions. We also sanity-check the PINN/automatic-differentiation pipeline on a damped harmonic oscillator, obtaining MSEs down to $\mathcal{O}(10^{-5})$. Compared to fast but iterative ODE solvers and direct-map families (Flow, Rectified-Flow, Consistency), PINGS frames generative sampling as a PINN-style residual problem with endpoint anchoring, yielding a white-box, differentiable map with NFE = 1. These proof-of-concept results position PINGS as a promising route to fast, function-based generative sampling with potential extensions to scientific simulation (e.g., fast calorimetry).

生成模型扩散模型物理信息网络快速采样

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