The information geometry of product-reference discrete diffusion: Interaction growth complexity and optimal scheduling

Two central challenges in diffusion-based sampling are the theoretical one of understanding their remarkable effectiveness even in high-dimensional settings, and the practical one of designing algorithms with certified performance guarantees. We show that these questions are intimately connected via the denoising growth complexity ($\mathsf{DGC}$). It is a geometric measure defined by a log-time weighted integral of the derivative of the denoising mean-squared error along the Gaussian heat flow. We show how the $\mathsf{DGC}$ increments lead to a simple and explicit bound on the KL error of an Euler scheme applied to the stochastic innovations representation. The bound is local along the path: each step is controlled by the corresponding $\mathsf{DGC}$ increment and its relative stepsize. This structure allows us to derive KL sampling guarantees for optimized stepsize schedules, both in a simpler single-block setting and in a more refined $K$-block setting. The $\mathsf{DGC}$ function has a natural martingale structure, which we exploit to develop fully data-certified versions of these algorithms. It also admits information-theoretic upper bounds in terms of covariance, rate distortion, metric entropy, and the Poincar'e constant, thereby recovering and sharpening a range of existing diffusion-sampling guarantees, as well as giving new results. In log heat-time, the fine partition limit is governed by an integral involving the square root of the $\mathsf{DGC}$ density, whereas a single-block schedule depends on its ordinary integral. This comparison precisely characterizes when adaptation to data geometry yields substantial computational gains, including logarithmic-to-constant separations for simple Gaussian mixture models.

We study masking diffusion for discrete sampling and introduce a path-resolved measure of data geometry called the unmasking growth complexity ({UGC\xspace}). Its local increments directly control Kullback--Leibler (KL) discretization error, yielding a unified analysis of Bernoulli-subset and fixed-cardinality unmasking schemes. In log-reveal-odds coordinates, this structure yields optimized single-block and multi-block schedules, and quantifies the gains from adapting computational effort to data geometry. Crucially, we show how {UGC\xspace} increments can be estimated from samples via KL increments along coupled reveal trajectories. This leads to certified-optimal samplers that achieve a prescribed KL error with high probability and iteration complexity within a constant factor of the corresponding oracle procedure. Collapsing the \ugc path yields the aggregate {UGC\xspace} mass, which connects to classical multivariate dependence measures and complexity measures from previous analyses of discrete diffusion. In the fine-partition limit, the squared integral of the square-root {UGC\xspace} density determines the sharp leading-order optimal Euler discretization error. Examples exhibit substantial dimension-dependent gains over coarse schedules, including $\widetildeΩ(\sqrt{d})$ improvements achievable with a constant number of adaptively placed blocks.

Sampling from unnormalized distributions over large discrete state spaces becomes difficult when a multimodal target is far from a tractable reference. We introduce Iterative Exact Discrete Guidance (IEDG), a population-exact, trajectory-wise guidance framework for unnormalized discrete targets. Rather than learn the full reference-to-target correction in one step, IEDG introduces a global Boltzmann tilt along an annealing trajectory. Each stage learns a stage-local posterior correction for an incremental Boltzmann tilt of the current source, while the resulting corrections are accumulated relative to a fixed analytic posterior. At the population optimum, exact stage posteriors recover the correct reverse dynamics, whose exact simulation reproduces the target distribution. IEDG chooses stage increments by relative effective sample size (rESS), which controls Rényi-2 displacement and locally adapts the step size to the thermodynamic geometry of the annealing path. Our stagewise total-variation analysis shows that limited overlap amplifies Bregman fitting error by $1/\sqrt{\mathrm{rESS}}$, while posterior, simulation, and truncation errors enter additively. IEDG improves all distribution-level errors over the neural baselines on ordered, exactly enumerated Ising $4\times4$, while substantially reducing one-shot errors on Ising/Potts $16\times16$ across thermodynamic regimes and attaining the best neural-sampler result on several reported local-statistic and phase-coverage metrics. On Max-Cut, its best-of-512 and average-sample ratios exceed all the baselines. Code and artifacts are available at https://github.com/StillFantasy123/iterative-exact-discrete-guidance.