# Iterated Denoising Energy Matching for Sampling from Boltzmann Densities

arXiv: https://arxiv.org/abs/2402.06121 · HTML: https://mlsanity.com/paper/2402.06121/

## Key facts

- Cited by 116 papers in the map (data through 14 Oct 2026).
- Builds on 48 of its 80 references that are in the map.
- First posted on arXiv 9 Feb 2024.

## Builds on (most cited first, 30 of 48)

- [Denoising Diffusion Probabilistic Models](https://mlsanity.com/paper/2006.11239/) (2020)
- [Score-Based Generative Modeling through Stochastic Differential Equations](https://mlsanity.com/paper/2011.13456/) (2020)
- [Deep Unsupervised Learning using Nonequilibrium Thermodynamics](https://mlsanity.com/paper/1503.03585/) (2015)
- [Flow Matching for Generative Modeling](https://mlsanity.com/paper/2210.02747/) (2022)
- [Neural Ordinary Differential Equations](https://mlsanity.com/paper/1806.07366/) (2018)
- [Variational Inference with Normalizing Flows](https://mlsanity.com/paper/1505.05770/) (2015)
- [Density estimation using Real NVP](https://mlsanity.com/paper/1605.08803/) (2016)
- [Normalizing Flows for Probabilistic Modeling and Inference](https://mlsanity.com/paper/1912.02762/) (2019)
- [Building Normalizing Flows with Stochastic Interpolants](https://mlsanity.com/paper/2209.15571/) (2022)
- [E(n) Equivariant Graph Neural Networks](https://mlsanity.com/paper/2102.09844/) (2021)
- [Improving and generalizing flow-based generative models with minibatch optimal transport](https://mlsanity.com/paper/2302.00482/) (2023)
- [Equivariant Diffusion for Molecule Generation in 3D](https://mlsanity.com/paper/2203.17003/) (2022)
- [Diffusion Schr"odinger Bridge with Applications to Score-Based Generative Modeling](https://mlsanity.com/paper/2106.01357/) (2021)
- [GeoDiff: a Geometric Diffusion Model for Molecular Conformation Generation](https://mlsanity.com/paper/2203.02923/) (2022)
- [Rectified Flow: A Marginal Preserving Approach to Optimal Transport](https://mlsanity.com/paper/2209.14577/) (2022)
- [Equivariant Flows: Exact Likelihood Generative Learning for Symmetric Densities](https://mlsanity.com/paper/2006.02425/) (2020)
- [Self-Consuming Generative Models Go MAD](https://mlsanity.com/paper/2307.01850/) (2023)
- [SE(3) diffusion model with application to protein backbone generation](https://mlsanity.com/paper/2302.02277/) (2023)
- [Path Integral Sampler: a stochastic control approach for sampling](https://mlsanity.com/paper/2111.15141/) (2021)
- [Neural Stochastic Differential Equations: Deep Latent Gaussian Models in the Diffusion Limit](https://mlsanity.com/paper/1905.09883/) (2019)
- [E(n) Equivariant Normalizing Flows](https://mlsanity.com/paper/2105.09016/) (2021)
- [Stochastic Normalizing Flows](https://mlsanity.com/paper/2002.06707/) (2020)
- [SE(3)-Stochastic Flow Matching for Protein Backbone Generation](https://mlsanity.com/paper/2310.02391/) (2023)
- [Denoising Diffusion Samplers](https://mlsanity.com/paper/2302.13834/) (2023)
- [Flow-based generative models for Markov chain Monte Carlo in lattice field theory](https://mlsanity.com/paper/1904.12072/) (2019)
- [An optimal control perspective on diffusion-based generative modeling](https://mlsanity.com/paper/2211.01364/) (2022)
- [Equivariant flow matching](https://mlsanity.com/paper/2306.15030/) (2023)
- [Flow Annealed Importance Sampling Bootstrap](https://mlsanity.com/paper/2208.01893/) (2022)
- [Equivariant 3D-Conditional Diffusion Models for Molecular Linker Design](https://mlsanity.com/paper/2210.05274/) (2022)
- [GFlowNets and variational inference](https://mlsanity.com/paper/2210.00580/) (2022)

## Built on by (most cited first, 30 of 116)

- [Feynman-Kac Correctors in Diffusion: Annealing, Guidance, and Product of Experts](https://mlsanity.com/paper/2503.02819/) (2025)
- [Adjoint Sampling: Highly Scalable Diffusion Samplers via Adjoint Matching](https://mlsanity.com/paper/2504.11713/) (2025)
- [Amortizing intractable inference in diffusion models for vision, language, and control](https://mlsanity.com/paper/2405.20971/) (2024)
- [Efficient Online Reinforcement Learning for Diffusion Policy](https://mlsanity.com/paper/2502.00361/) (2025)
- [NETS: A Non-Equilibrium Transport Sampler](https://mlsanity.com/paper/2410.02711/) (2024)
- [A Diffusion Model Framework for Unsupervised Neural Combinatorial Optimization](https://mlsanity.com/paper/2406.01661/) (2024)
- [DIME:Diffusion-Based Maximum Entropy Reinforcement Learning](https://mlsanity.com/paper/2502.02316/) (2025)
- [Beyond ELBOs: A Large-Scale Evaluation of Variational Methods for Sampling](https://mlsanity.com/paper/2406.07423/) (2024)
- [Target Score Matching](https://mlsanity.com/paper/2402.08667/) (2024)
- [Scalable Equilibrium Sampling with Sequential Boltzmann Generators](https://mlsanity.com/paper/2502.18462/) (2025)
- [Meta Flow Maps enable scalable reward alignment](https://mlsanity.com/paper/2601.14430/) (2026)
- [Maximum Entropy Reinforcement Learning with Diffusion Policy](https://mlsanity.com/paper/2502.11612/) (2025)
- [Model-Based Diffusion for Trajectory Optimization](https://mlsanity.com/paper/2407.01573/) (2024)
- [Steering Masked Discrete Diffusion Models via Discrete Denoising Posterior Prediction](https://mlsanity.com/paper/2410.08134/) (2024)
- [LEAPS: A discrete neural sampler via locally equivariant networks](https://mlsanity.com/paper/2502.10843/) (2025)
- [Scalable Discrete Diffusion Samplers: Combinatorial Optimization and Statistical Physics](https://mlsanity.com/paper/2502.08696/) (2025)
- [Underdamped Diffusion Bridges with Applications to Sampling](https://mlsanity.com/paper/2503.01006/) (2025)
- [No Trick, No Treat: Pursuits and Challenges Towards Simulation-free Training of Neural Samplers](https://mlsanity.com/paper/2502.06685/) (2025)
- [Progressive Inference-Time Annealing of Diffusion Models for Sampling from Boltzmann Densities](https://mlsanity.com/paper/2506.16471/) (2025)
- [Trust Region Constrained Measure Transport in Path Space for Stochastic Optimal Control and Inference](https://mlsanity.com/paper/2508.12511/) (2025)
- [DriftLite: Lightweight Drift Control for Inference-Time Scaling of Diffusion Models](https://mlsanity.com/paper/2509.21655/) (2025)
- [Tilt Matching for Scalable Sampling and Fine-Tuning](https://mlsanity.com/paper/2512.21829/) (2025)
- [Training Neural Samplers with Reverse Diffusive KL Divergence](https://mlsanity.com/paper/2410.12456/) (2024)
- [Adjoint Schr"odinger Bridge Sampler](https://mlsanity.com/paper/2506.22565/) (2025)
- [MDNS: Masked Diffusion Neural Sampler via Stochastic Optimal Control](https://mlsanity.com/paper/2508.10684/) (2025)
- [Behavior-Regularized Diffusion Policy Optimization for Offline Reinforcement Learning](https://mlsanity.com/paper/2502.04778/) (2025)
- [From discrete-time policies to continuous-time diffusion samplers: Asymptotic equivalences and faster training](https://mlsanity.com/paper/2501.06148/) (2025)
- [Sampling from Energy-based Policies using Diffusion](https://mlsanity.com/paper/2410.01312/) (2024)
- [Outsourced diffusion sampling: Efficient posterior inference in latent spaces of generative models](https://mlsanity.com/paper/2502.06999/) (2025)
- [Accelerated Parallel Tempering via Neural Transports](https://mlsanity.com/paper/2502.10328/) (2025)

## Abstract (arXiv)

Efficiently generating statistically independent samples from an unnormalized probability distribution, such as equilibrium samples of many-body systems, is a foundational problem in science. In this paper, we propose Iterated Denoising Energy Matching (iDEM), an iterative algorithm that uses a novel stochastic score matching objective leveraging solely the energy function and its gradient -- and no data samples -- to train a diffusion-based sampler. Specifically, iDEM alternates between (I) sampling regions of high model density from a diffusion-based sampler and (II) using these samples in our stochastic matching objective to further improve the sampler. iDEM is scalable to high dimensions as the inner matching objective, is simulation-free, and requires no MCMC samples. Moreover, by leveraging the fast mode mixing behavior of diffusion, iDEM smooths out the energy landscape enabling efficient exploration and learning of an amortized sampler. We evaluate iDEM on a suite of tasks ranging from standard synthetic energy functions to invariant n-body particle systems. We show that the proposed approach achieves state-of-the-art performance on all metrics and trains 2-5× faster, which allows it to be the first method to train using energy on the challenging 55-particle Lennard-Jones system.