Sampling Data with Chains of Forward-Backward Diffusion Steps
Authors: Hyunmo Kang, Noam Itzhak Levi, Corinna Elena Wegner, Daniel J. Korchinski, Matthieu Wyart
Abstract
Sampling from learned high-dimensional distributions is a foundational computational problem. We introduce U-turn chains: Markov chains obtained by iterating short forward-backward steps of a diffusion model, in which each step proposes a move that remains on the learned data manifold and, paired with a Metropolis-Hastings correction, samples from energy-modified targets. For synthetic languages, we show that minimal U-turn dynamics undergoes an ergodicity-breaking phase transition driven by fragmentation of the data manifold; ergodicity is restored at larger U-turn magnitude. In the non-ergodic regime, low-level features relax faster than high-level ones, an ordering that inverts only at sufficiently large U-turn magnitude. We test these predictions on natural language and natural images. In both modalities, minimal U-turns relax slowly, especially for high-level features approximated by deep representations in CNNs or LLMs. The layer-ordering inversion appears only at large noise when mixing is efficient -- signatures consistent with strongly constrained, weakly mixing local dynamics. We discuss the implications of these results for sampling with diffusion models.
Discrete diffusion models are a powerful class of generative models with strong performance across many domains. For efficiency, however, discrete diffusion typically parameterizes the generative (reverse) process with factorized distributions, which makes it difficult for the model to learn the target process in a small number of steps and necessitates a long, computationally expensive sampling procedure. To reduce the gap between the target and model distributions and enable few-step generation, we propose Forward-Learned Discrete Diffusion (FLDD), which introduces discrete diffusion with a learnable forward (noising) process. Rather than fixing a Markovian forward chain, we adopt a non-Markovian formulation with learnable marginal and posterior distributions. This allows the generative process to remain factorized while matching the target defined by the noising process. We train all parameters end-to-end under the standard variational objective. Experiments on various benchmarks show that, for a given number of sampling steps, our approach produces a higher quality samples than conventional discrete diffusion models using the same reverse parameterization.
Discrete diffusion models achieve strong performance in text and image generation, but their inference remains slow and must inherently balance sampling efficiency and sample quality. In this work, we present a systematic study of how the \emph{degree of stochasticity} in Markov transitions governs the sampling tradeoff. We show that highly deterministic transitions converge rapidly but suffer from error accumulation, while more stochastic transitions converge more slowly yet can achieve higher final sample quality. Using an information-theoretic analysis, we identify the underlying mechanism as an error-correcting effect induced by \emph{redundant transitions} that symmetrically exchange mass between states, and show that these transitions can provably contract sampling errors. Motivated by this analysis, we propose \emph{Discrete Churn and Restart Sampling} (DCRS), a novel inference algorithm that injects controlled stochasticity by alternating between forward and reverse diffusion processes. Experiments on synthetic datasets and large-scale benchmarks show that DCRS improves the speed-quality tradeoff in the low number of function evaluations regime. On image datasets, DCRS achieves up to a 10× reduction in sampling steps compared to standard samplers while maintaining competitive sample quality, whereas on language benchmarks, we observe more nuanced behavior depending on the corruption process and sampling procedure.
Diffusion models perform remarkably well on high-dimensional data such as images, often using only a modest number of reverse-time steps. Despite this practical success, existing convergence theory does not fully explain why such samplers remain efficient in high dimensions. Many prior KL guarantees bound the discretization error in terms of the ambient dimension, while other improved results replace this dependence using intrinsic-dimensional or geometric structure assumptions. In this work, we develop an alternative information-theoretic perspective on diffusion sampler convergence. We prove that, for Gaussian mixture targets, the discretization error is controlled by the Shannon entropy of the latent mixture component rather than by the ambient dimension. Consequently, the leading step complexity scales linearly with latent entropy and depends only logarithmically on the second moment of the data. Our analysis also extends to discrete target distributions, where the relevant complexity is the entropy of the target rather than the dimension of the embedding space. These results suggest that diffusion sampling can remain efficient in high-dimensional spaces when the data distribution admits a compact latent representation, as is widely believed to be the case for natural images.