Towards Diverse and Comprehensive Benchmarks for Mutual Information Estimation

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.

Measuring statistical dependency between high-dimensional random variables is a fundamental task in data science and machine learning. Neural mutual information (MI) estimators offer a promising avenue, but they typically require costly iterative optimization for each new dataset, making them impractical for real-time applications. We present InfoAtlas, a foundation model-like architecture that eliminates this bottleneck by directly inferring MI in a single forward pass. Pretrained on large-scale synthetic data with rich dependence patterns, InfoAtlas learns to identify diverse dependence structures and predict MI directly from the dataset. Comprehensive experiments demonstrate that InfoAtlas matches state-of-the-art neural estimators in accuracy while achieving $100\times$ speedup, can flexibly handle varying dimensions and sample sizes through a single unified model, and generalizes effectively to complex, real-world scenarios. By reformulating MI estimation as an inference task, InfoAtlas establishes a foundation for real-time dependency analysis.

Estimating mutual information from text usually requires training a task-specific critic, which limits its use in low-data settings. We ask whether large language models can instead estimate pointwise mutual information zero-shot, using only prompts and elicited probabilities. We construct a benchmark from three publicly available human-annotated datasets with ground-truth PMI, and evaluate five information-theoretic prompting-based estimators. Our main method, PromptNCE, frames conditional probability estimation as a contrastive task and augments the candidate set with an explicit OTHER category. The OTHER category allows the model to assign probability mass outside the candidate set, avoiding the closed-set normalization of standard contrastive prompts. PromptNCE gives the best conditional probability estimates on all three datasets. For full PMI, we find that estimating label base rates is the primary bottleneck on two of the three datasets, with the best methods reaching Spearman correlation up to 0.78. We also present a case study in computer science education showing how these estimators can be used to score student knowledge summaries in a low-data setting. We release our code and prompts.