Information Estimation with Discrete Diffusion

Discrete diffusion models have demonstrated strong performance across a range of datasets, including natural language data and graph-structured data. Among many variants, score-entropy discrete diffusion (SEDD) has achieved particularly strong empirical results. In SEDD, new samples are generated by iteratively evaluating a sequence of concrete score functions, which are learned by minimizing a score-entropy loss. While much of the prior theoretical literature on discrete diffusion has focused on the sampling efficiency of SEDD under the assumption of small score estimation error, recent work has begun to investigate the finite-sample properties of score estimation itself. In this work, we take a different route by investigating the fundamental statistical limits of concrete score estimation. We focus on uniform and masking discrete diffusions, two of the most widely adopted discrete diffusion models. We establish a minimax lower bound under the score-entropy loss, and propose an MLE-based thresholding estimator that matches this lower bound up to constant and polylogarithmic factors that depend on neighboring density ratios. We further show that, for any target distribution, this density ratio is naturally controlled under both uniform and masking discrete diffusion models, yielding nearly matching minimax lower and upper bounds for the aggregated score estimation error. Our results imply that, with appropriate initialization and discretization, SEDD can achieve nearly optimal minimax sample complexity, as measured by the KL divergence between the target and generated distributions.

Mutual information is a general measure of statistical dependence that captures both linear and nonlinear relationships between random variables. For continuous and multidimensional variables For continuous multidimensional variables, mutual information must be estimated from samples. Because mutual information is unbounded, its values are not directly comparable across datasets, dimensions, or applications. Normalized mutual information addresses this limitation by converting mutual information into a normalized dependency score. Recent work has demonstrated the practical value of normalized mutual information in applications such as molecular dynamics {arXiv:2405.04980} and interpretable machine learning {arXiv:2409.16768}, but existing estimators remain sensitive to dimensionality and numerical stability {arXiv:2410.07642}. In this paper, we propose a fully neural normalized mutual information estimator for continuous variables. The proposed approach combines a MINE-based neural mutual information estimator {arXiv:1801.04062} with MI-NEE-inspired neural marginal entropy estimators {arXiv:1905.12957}. Mutual information is estimated using the Donsker--Varadhan representation, while marginal entropies are estimated by learning the divergence between each marginal distribution and a uniform reference distribution, from which entropy is recovered. The resulting estimator provides a neural alternative to k-nearest-neighbor-based normalized mutual information estimation {arXiv:2405.04980}. Experiments on Gaussian data from one to eight dimensions show that the proposed estimator improves accuracy over a KSG-based normalized mutual information baseline. These results indicate that neural estimation is a promising direction for normalized dependency measurement in continuous multidimensional settings.

Uncovering the true informational architecture of real-world complex systems requires disentangling how their components uniquely store, redundantly share, and synergistically integrate information over time. Integrated Information Decomposition ($Φ$ID) is a framework for decomposing the information dynamics of multivariate systems into sixteen non-overlapping atoms that characterize redundant, unique, and synergistic modes of information storage, transfer, and integration. Existing methods to compute $Φ$ID are restricted to Gaussian or discrete systems, preventing its application to continuous non-Gaussian dynamical systems. We address this limitation by proposing DIPHINE (Diffusion-based $Φ$-ID Neural Estimator), the first neural estimator that leverages score-based diffusion models to jointly estimate all the mutual information terms required by $Φ$ID from a single amortized network, recovering the sixteen atoms through Möbius inversion. We provide a theoretical analysis of error propagation through the inversion, showing that the Jacobian of the mapping from mutual informations to atoms is integer-valued and that the synergy-to-synergy atom is provably the hardest to estimate. We demonstrate accurate recovery of ground-truth atoms on synthetic benchmarks, superior performance compared to established mutual information estimators, and the ability to extract physiologically interpretable information-dynamic structure on an application involving real data without any distributional assumptions.