DOE PAGES title logo U.S. Department of Energy
Office of Scientific and Technical Information

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

Journal Article · · Physical Review. E

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. Published by the American Physical Society 2025

Sponsoring Organization:
USDOE Office of Science (SC), Basic Energy Sciences (BES)
Grant/Contract Number:
SC0022917
OSTI ID:
2512429
Journal Information:
Physical Review. E, Journal Name: Physical Review. E Journal Issue: 2 Vol. 111; ISSN PLEEE8; ISSN 2470-0045
Publisher:
American Physical SocietyCopyright Statement
Country of Publication:
United States
Language:
English

References (62)

Matrix-product states for a one-dimensional lattice gas with parallel dynamics journal July 1997
Nonequilibrium Markov Processes Conditioned on Large Deviations journal October 2014
Reverse-time diffusion equation models journal May 1982
The density-matrix renormalization group in the age of matrix product states journal January 2011
A practical introduction to tensor networks: Matrix product states and projected entangled pair states journal October 2014
Sampling thermodynamic ensembles of molecular systems with generative neural networks: Will integrating physics-based models close the generalization gap? journal June 2024
Accelerating Markov Chain Monte Carlo sampling with diffusion models journal March 2024
Aspects of non-equilibrium in classical and quantum systems: Slow relaxation and glasses, dynamical large deviations, quantum non-ergodicity, and open quantum dynamics journal August 2018
The large deviation approach to statistical mechanics journal July 2009
A high-bias, low-variance introduction to Machine Learning for physicists journal May 2019
Dynamical regimes of diffusion models journal November 2024
Resource-efficient quantum algorithm for protein folding journal February 2021
Tensor networks for complex quantum systems journal August 2019
Using tensor network states for multi-particle Brownian ratchets journal June 2022
Matrix product states, projected entangled pair states, and variational renormalization group methods for quantum spin systems journal March 2008
Stochastic light-cone CTMRG: a new DMRG approach to stochastic models journal December 2002
Unifying projected entangled pair state contractions journal March 2014
A reinforcement learning approach to rare trajectory sampling journal January 2021
Tensor-network approaches to counting statistics for the current in a boundary-driven diffusive system journal November 2022
Time-dependent density-matrix renormalization-group using adaptive effective Hilbert spaces journal April 2004
An area law for one-dimensional quantum systems journal August 2007
Effective Langevin equations for constrained stochastic processes journal June 2015
Classical stochastic dynamics and continuous matrix product states: gauge transformations, conditioned and driven processes, and equivalence of trajectory ensembles journal July 2016
Generative diffusion in very large dimensions journal September 2023
Entanglement Transitions in Unitary Circuit Games journal January 2024
Crystal Statistics. I. A Two-Dimensional Model with an Order-Disorder Transition journal February 1944
Classical simulation of quantum many-body systems with a tree tensor network journal August 2006
Matrix product states represent ground states faithfully journal March 2006
Algorithms for finite projected entangled pair states journal August 2014
Tree tensor networks for generative modeling journal April 2019
Dynamical phase behavior of the single- and multi-lane asymmetric simple exclusion process via matrix product states journal August 2019
Dynamics and large deviation transitions of the XOR-Fredrickson-Andersen kinetically constrained model journal November 2020
Optimal sampling of dynamical large deviations via matrix product states journal June 2021
Slow dynamics and large deviations in classical stochastic Fredkin chains journal July 2022
Tensor networks for unsupervised machine learning journal January 2023
Efficient simulations of epidemic models with tensor networks: Application to the one-dimensional susceptible-infected-susceptible model journal August 2023
Topological phases in the dynamics of the simple exclusion process journal March 2024
Density-matrix renormalization-group study of current and activity fluctuations near nonequilibrium phase transitions journal February 2009
Current fluctuations in the weakly asymmetric exclusion process with open boundaries journal November 2012
Exact Current Statistics of the Asymmetric Simple Exclusion Process with Open Boundaries journal October 2012
Using Matrix Product States to Study the Dynamical Large Deviations of Kinetically Constrained Models journal November 2019
Dynamical Phase Transitions in a 2D Classical Nonequilibrium Model via 2D Tensor Networks journal September 2020
Finite Time Large Deviations via Matrix Product States journal March 2022
Optimal Sampling of Dynamical Large Deviations in Two Dimensions via Tensor Networks journal April 2023
Combining Reinforcement Learning and Tensor Networks, with an Application to Dynamical Large Deviations journal May 2024
Density matrix formulation for quantum renormalization groups journal November 1992
Thermodynamic Limit of Density Matrix Renormalization journal November 1995
Efficient Simulation of One-Dimensional Quantum Many-Body Systems journal July 2004
Quantifying Rare Events in Stochastic Reaction-Diffusion Dynamics Using Tensor Networks journal October 2023
Unsupervised Generative Modeling Using Matrix Product States journal July 2018
Matrix product states and projected entangled pair states: Concepts, symmetries, theorems journal December 2021
Boltzmann generators: Sampling equilibrium states of many-body systems with deep learning journal September 2019
Ergodicity and large deviations in physical systems with stochastic dynamics journal April 2020
Application of the Density Matrix Renormalization Group Method to a Non-Equilibrium Problem journal February 1998
Snapshot Observation for 2D Classical Lattice Models by Corner Transfer Matrix Renormalization Group journal January 2005
AUC Maximization in the Era of Big Data and AI: A Survey journal December 2022
Statistical Mechanics of Deep Learning journal March 2020
Tensor Network Algorithms: A Route Map journal March 2023
Collective Monte Carlo updates through tensor network renormalization journal May 2023
The Tensor Networks Anthology: Simulation techniques for many-body quantum lattice systems journal March 2019
Density estimation by dual ascent of the log-likelihood journal January 2010
Developments in the Tensor Network — from Statistical Mechanics to Quantum Entanglement journal June 2022

Similar Records

Regurgitated dark matter
Journal Article · 2024 · Physical Review. D. · OSTI ID:2447494

Search for Dark Matter Ionization on the Night Side of Jupiter with Cassini
Journal Article · 2024 · Physical Review Letters · OSTI ID:2377875

Search for Daily Modulation of MeV Dark Matter Signals with DAMIC-M
Journal Article · 2024 · Physical Review Letters · OSTI ID:2320298

Related Subjects