DIPHINE: Diffusion-based $Φ$-ID Neural Estimator

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.

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.

Reconstructing continuous state trajectories of chaotic dynamical systems from sparse, noisy observations remains a fundamental open problem in nonlinear science. We introduce the Physics-Informed Diffusion Model with Dormand-Prince Integration (PIDM-DP), which embeds a fully differentiable 5th-order Dormand-Prince (DP-RK45) ODE integrator directly into the reverse sampling loop of a Denoising Diffusion Probabilistic Model (DDPM). At each denoising step, physics residuals are back-propagated via automatic differentiation, constraining every generated trajectory to satisfy the system's governing equations to 5th-order accuracy. A linear-scheduled guidance mechanism that ramps the physics weight from zero at high noise levels to its full value near the clean-data limit prevents the gradient explosions that cause naive physics-informed approaches to fail on stiff systems with Jacobian eigenvalues of order $O(10^3)$. Evaluated across five benchmark systems of increasing complexity 3D Lorenz, 3D Rössler, 5D Hyperchaotic, 20D Lorenz-96, and the stiff 3D Rabinovich-Fabrikant at 10% observation density with additive Gaussian noise ($σ=0.05$), PIDM-DP achieves reconstruction RMSE improvements of up to $15.4\times$ over an unconstrained diffusion baseline and decisively outperforms the Ensemble Kalman Filter on stiff systems where ensemble covariance collapses. On the Rabinovich-Fabrikant out-of-distribution benchmark, PIDM-DP attains RMSE $0.1097 \pm 0.0269$ versus $0.9443 \pm 0.5288$ (unconstrained diffusion, $8.6\times$ worse) and $0.3561 \pm 0.3040$ (EnKF, $3.2\times$ worse), with $p<0.001$ in paired Wilcoxon tests ($N = 30$). Topological validation via the Rosenstein Lyapunov estimator confirms that PIDM-DP preserves the chaotic invariant measure.