Discrete generative diffusion models without stochastic differential equations: A tensor network approach.

IF 2.4 3区 物理与天体物理 Q2 PHYSICS, FLUIDS & PLASMAS Physical Review E Pub Date : 2025-02-01 DOI:10.1103/PhysRevE.111.025302
Luke Causer, Grant M Rotskoff, Juan P Garrahan
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Abstract

Diffusion models (DMs) are a class of generative machine learning methods that sample a target distribution by transforming samples of a trivial (often Gaussian) distribution using a learned stochastic differential equation. In standard DMs, this is done by learning a "score function" that reverses the effect of adding diffusive noise to the distribution of interest. Here we consider the generalisation of DMs to lattice systems with discrete degrees of freedom, and where noise is added via Markov chain jump dynamics. We show how to use tensor networks (TNs) to efficiently define and sample such "discrete diffusion models" (DDMs) without explicitly having to solve a stochastic differential equation. We show the following: (i) by parametrising the data and evolution operators as TNs, the denoising dynamics can be represented exactly; (ii) the auto-regressive nature of TNs allows to generate samples efficiently and without bias; (iii) for sampling Boltzmann-like distributions, TNs allow to construct an efficient learning scheme that integrates well with Monte Carlo. We illustrate this approach to study the equilibrium of two models with non-trivial thermodynamics, the d=1 constrained Fredkin chain and the d=2 Ising model.

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无随机微分方程的离散生成扩散模型:张量网络方法。
扩散模型(DMs)是一类生成式机器学习方法,它通过使用学习到的随机微分方程对微量(通常是高斯)分布样本进行转换,从而对目标分布进行采样。在标准的 DM 中,这是通过学习一个 "评分函数 "来实现的,该函数可以逆转在相关分布中添加扩散噪声的效果。在这里,我们考虑将 DM 推广到具有离散自由度的晶格系统,并通过马尔科夫链跳跃动力学添加噪声。我们展示了如何利用张量网络(TNs)来有效定义和采样这种 "离散扩散模型"(DDMs),而无需明确求解随机微分方程。我们展示了以下内容:(i) 通过将数据和演化算子参数化为 TN,可以精确地表示去噪动态;(ii) TN 的自动回归特性允许高效且无偏差地生成样本;(iii) 对于类似玻尔兹曼分布的采样,TN 允许构建一个与蒙特卡罗很好集成的高效学习方案。我们用这种方法来研究两个非三维热力学模型的平衡,即 d=1 约束弗雷德金链和 d=2 伊辛模型。
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来源期刊
Physical Review E
Physical Review E PHYSICS, FLUIDS & PLASMASPHYSICS, MATHEMAT-PHYSICS, MATHEMATICAL
CiteScore
4.50
自引率
16.70%
发文量
2110
期刊介绍: Physical Review E (PRE), broad and interdisciplinary in scope, focuses on collective phenomena of many-body systems, with statistical physics and nonlinear dynamics as the central themes of the journal. Physical Review E publishes recent developments in biological and soft matter physics including granular materials, colloids, complex fluids, liquid crystals, and polymers. The journal covers fluid dynamics and plasma physics and includes sections on computational and interdisciplinary physics, for example, complex networks.
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