Undirected graphical models provide a fundamental framework for representing conditional independence structures among high-dimensional random variables. While undirected graphical model selection has become a central problem in high-dimensional statistics, most existing methods are restricted to parametric settings. In this paper, we develop a nonparametric approach to undirected graphical model selection based on diffusion models. Recent work has shown that diffusion models can adapt to the unknown graph structure of the underlying distribution, yet utilizing these models for explicit graph estimation remains unexplored. To bridge this gap, we introduce a novel diffusion-based method for nonparametric undirected graphical model selection. We establish the model selection consistency of the proposed method and demonstrate its empirical performance through extensive simulations and two real data analyses.

We study component recovery and mixing-matrix estimation from unlabeled finite mixtures whose observable distributions share the same latent components but have unknown mixing weights. The main identifying signal is marginal independence: each component is assumed to be independent on at least one coordinate pair, but no labels, clean component samples, or mixing weights are observed. We first prove a structural result for product components: under linear independence of the univariate marginals, any independent affine combination of the components must coincide with a single component. We then extend this principle to observable mixtures and show that, under full-rank and no-cancellation conditions, marginally independent affine combinations recover the corresponding latent components. When every component is independent on some coordinate pair, all components are identifiable, and the mixing matrix is recoverable under the stated completion conditions. Finally, we propose a Product-Marginal Maximum Mean Discrepancy (PM-MMD) estimator over affine combinations of the observable mixtures and prove uniform convergence and stability under approximate marginal independence. This framework also separates the empirical roles of the assumptions: irreducibility is, in general, not directly testable from the unlabeled mixtures alone, whereas marginal independence yields a candidate-level diagnostic through held-out PM-MMD. Controlled and flow-cytometry experiments show when marginal independence provides a useful recovery signal. In the reported multi-component comparisons, condition-aware representative selection stabilizes PM-MMD and improves recovery relative to clustering, factorization, and pairwise mixture-proportion baselines using the same unlabeled mixtures.

Scientific machine learning is limited less by model size than by the data it is trained on. Observational data records what happened but not why; template synthetic data has a known generating process but only for the simulator's template, not the case a user faces. We argue a third option is now operationally feasible: instrumented data, in which every datum carries the mechanistic model that produced it, an explicit uncertainty over that model, and an executable family of counterfactuals. Verification-and-validation (V&V) instrumented image-to-simulation pipelines are one realisation: a sensor observation becomes a fully specified, solver-backed simulation with explicit, editable parameters and a propagated aleatoric/epistemic uncertainty. The substrate is case-specific, mechanistically supervised, and supports causal interventions through Pearl's do-operator.

In regression modelling, the primary objective is to approximate the true conditional mean of a response given a set of features. To this end, various statistical models are used to fit a regression function that provides a mean estimate for each single set of features. This function is said to be calibrated if the resulting mean estimates match the true conditional means for almost all features. Aiming for calibration seems not achievable in practice as models are fitted on finite samples of noisy observations. A weaker notion of calibration is auto-calibration (sometimes also called mean-calibration or well-calibration); see, for example, Kr uger-Ziegel [22] and Denuit et al. [7]. This notion goes back to earlier works on the reliability of probabilistic forecasts in meteorology; we refer to Bross [2], Sanders [26] and Murphy-Winkler [23]. It means that when responses are grouped according to their mean estimates, the average of the responses within each group matches this estimate. This property is important in various applications where sums of mean estimates have to match sums of responses at a global and local level. This is, for example, the case in insurance pricing as an auto-calibrated pricing system avoids systematic cross-subsidy between different price cohorts; we refer the reader to Pohle [24], Denuit et al. [6], Fissler et al. [9] and W uthrich-Merz [30].

Externally controlled survival trials are increasingly used when concurrent randomized controls are infeasible, particularly in oncology and rare-disease settings with time-to-event endpoints. We target an average-treatment-effect-on-the-treated (ATT)-type marginal hazard-ratio estimand, comparing treatment with counterfactual control in the treated trial population, and estimate it using inverse-probability-weighted (IPW) Cox regression. Valid inference is challenging because IPW Cox regression depends on the weights through both event contributions and risk-set averages, making flexible machine-learning nuisance estimation difficult to incorporate directly. Building on machine-learning-assisted generalized entropy calibration (MEC) by Lee and Kim (2026), we propose MEC-Cox for ATT-weighted IPW Cox regression. The method begins with normalized source-propensity-score odds weights for external controls and then applies Bregman calibration to balance cross-fitted prognostic summaries between external controls and treated trial patients. The calibration basis may include control-survival predictions, Cox linear predictors, penalized-survival-model predictions, or other prognostic-score summaries. MEC-updated weights therefore play a dual role as source-transport and prognostic-score balancing weights. We establish consistency, characterize a calibration-induced efficiency gain, and develop a stacked sandwich variance estimator. Simulations show that MEC-Cox can reduce bias, increase efficiency, and improve coverage through flexible machine-learning-assisted adjustment.

Black-box variational inference (BBVI) is a methodology for posterior approximation that relies on stochastic optimization. In practice, the stochastic optimizers underpinning BBVI generally require extensive problem-specific tuning, which undermines its promise as a truly "black box" inference algorithm. However, over the past decade, many new adaptive stochastic optimization algorithms have been developed that reduce or remove entirely the need for tuning. In this work, we investigate this new collection of adaptive methods in the context of BBVI, with the goal of establishing the current state of the art in tuning-free optimization-based inference. In particular, we present a large-scale empirical evaluation of 56 stochastic gradient-based optimization algorithms applied to 1092 Bayesian inference optimization problems, involving over 550,000 individual optimization runs and 15 core-years of compute. The optimization algorithms we evaluate are chosen to represent a wide spectrum of recent approaches and the benchmark problems are chosen to span a range of difficulty, with posterior target dimension 1-10^4, condition number 1-10^8, and a range of variational families. Our results show that no single method dominates, but running a selection of 5 algorithms suffices to reliably get close to the best-possible observed performance. We thus provide a strong baseline for applications where expert tuning is not possible and for comparison when developing new stochastic optimization algorithms.

Most statistical and machine learning methods for directed interactions focus on pairwise effects among variables. Even existing cyclic models represent feedback primarily through node-level dependencies, making large-scale recurrent organization difficult to estimate and compare. This limitation is particularly acute in biological and neural systems, where interactions are highly recurrent and involve many overlapping cycles. We introduce a variational framework for statistical inference on cyclic interactions. Directed interactions are represented as edge flows on a simplicial complex and evolved under an energy-minimizing dynamical system. The resulting dynamics separate transient interaction components from persistent harmonic flows, yielding a low-dimensional cycle space that captures stable recurrent organization. Rather than enumerating individual cycles, the proposed framework represents cyclic interactions as elements of a Hilbert space, enabling projection, averaging, comparison, and population-level statistical inference. We establish theoretical properties of the harmonic projection, including characterization of the cycle space, variance reduction, and population inference. Simulations demonstrate substantially improved recovery of cyclic structure in dense recurrent systems compared with existing directed-interaction methods. Applied to resting-state fMRI from 400 human subjects, the framework reveals reproducible large-scale cyclic organization that is not detectable through edgewise averaging. These results provide a scalable statistical framework for studying recurrent interactions in high-dimensional dynamical systems.

Uncertainty quantification (UQ) is critical for the deployment of machine learning predictors in real-world scenarios where the data distribution may shift over time (i.e., data may not be exchangeable). Online conformal prediction (OCP) methods address this issue at the expense of either (i) group-wise error control or (ii) learning-rate independent implementation. Group-conditional coverage is essential for fairness across different collections of data points and for providing finer UQ guarantees. Parameter-free optimization is crucial for robustness to adversarial and unknown data shifts. We propose a parameter-free algorithm for group-conditional OCP and demonstrate that it achieves the best group-conditional coverage guarantees. We evaluate our algorithm on synthetic and real-world data, demonstrating that our method not only improves the reliability of existing parameter-free OCP methods but also provides prediction intervals that are comparable in size to well-tuned group-conditional approaches. By unifying group-conditional coverage with parameter-free online algorithms, our work lays a foundation for fair and robust uncertainty quantification in shifting environments.

Accurate vessel traffic flow prediction is crucial for smart port operations and navigational safety. However, maritime traffic flow data are often highly sparse with intermittent bursts, making robust forecasting challenging. Under such conditions, conventional spatio-temporal graph neural networks (ST-GNNs) can degrade toward conservative near-zero predictions and fail to capture non-zero activity. Although zero-inflated negative binomial (ZINB) models partially address excess zeros, their two-part formulation can still remain conservative around abrupt transitions. To address these issues, we propose a model-agnostic learnable Tweedie head that can be attached as a plug-and-play output module to arbitrary ST-GNN backbones. Instead of likelihood-based Tweedie training, which typically requires surrogate objectives, our approach optimizes the closed-form Tweedie unit deviance and predicts the mean for point forecasting while learning a node-level variance power to capture heterogeneous variability across port areas. Experiments on a maritime traffic graph constructed from real-world AIS data in the Port of Los Angeles and Long Beach show that the proposed head consistently improves RMSE across multiple ST-GNN backbones, especially on non-zero events, leading to more reliable forecasts for practical maritime traffic control.

Performative prediction studies feedback loops that arise when predictive models are deployed in consequential domains. In these settings, deploying a model can change the population whose patterns the model aims to predict, inducing a distribution shift that is endogenous to the learning system. This perspective departs from classical treatments of distribution shift, where shifts are typically modeled as exogenous changes in the data-generating process. Yet, in practice, distribution shift is rarely one or the other. Predictive models may influence future data through the decisions they support, while the world itself continues to drift for reasons beyond the learner's control. We study partially performative prediction, a framework that captures both endogenous and exogenous sources of distribution shift. The framework generalizes performative prediction by allowing the data distribution to evolve both in response to the deployed model and according to an external, time-varying process. We extend the central notions of performative stability and performative optimality to this setting by defining their online analogues that track the evolving partially performative environment. We analyze practical learning heuristics, including repeated retraining, and characterize when they successfully adapt to partially performative environments.