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 Statistical Learning


Self-Organized Conformal Prediction: Reducing Regional Coverage Gaps with Unsupervised Group Discovery

arXiv.org Machine Learning

Conformal prediction guarantees marginal coverage, but pooled calibration averages over heterogeneous regions and can mask regional undercoverage in safety-critical subgroups. We introduce Self-Organized Conformal Prediction (SOCP), a calibration scheme that discovers input-space groups with a Self-Organizing Map (SOM) and, at test time, draws a local calibration buffer from the query's best-matching unit (BMU) cell or a fixed grid neighborhood. The same retrieval rule applies to regression and classification tasks across tabular features and image embeddings, leaving the predictor and nonconformity score untouched. SOCP gives exact validity for BMU-cell retrieval and fixed retrieved-set validity for neighborhood buffers; central-cell validity for neighborhood retrieval holds up to a Kolmogorov-Smirnov (KS) bias term. A split-routed extension recovers fixed retrieved-set validity conditional on the routing split. On eight regression and classification benchmarks, SO-SCP reduces the weighted regional coverage gap on $7/8$ datasets (mean paired change $-7.1\%$) for a mean prediction-set size increase of $6.2\%$, with negligible overhead on the largest six datasets; SO-CQR yields smaller gains, since quantile regression already absorbs much of the heterogeneity. By learning groups directly from the input geometry, SOCP provides group-local calibration with exact fixed-group guarantees and approximate central-cell guarantees, without supervised partitions or predictor retraining.


Full Conformal Prediction under Stochastic Non-Conformity Measure

arXiv.org Machine Learning

The theory of full conformal prediction uses deterministic non-conformity measure, but modern usage of full conformal prediction often relies on machine learning training, making stochasticity inevitable. A simple sufficient condition of almost sure permutation invariance of the non-conformity measure can be too restrictive, so many have suggested the relaxation to permutation in distribution as a condition for full conformal prediction validity. We, however, show that this commonly known condition is actually insufficient. We then provide a correct sufficient condition: Conditional Independence & Permutation Invariance in Distribution, which encompasses several stochastic settings that may be used in machine learning.


Learning heterogeneous treatment effects under principal stratification

arXiv.org Machine Learning

Principal stratification provides a foundational framework for causal inference with intermediate outcomes by defining causal effects within subpopulations, yet existing work has largely focused on average effects across strata rather than treatment effect heterogeneity within strata. Such within-stratum heterogeneity informs individualized treatment decisions but the associated methods are sparse. We address this gap by studying the identification and estimation of the conditional principal causal effects under principal ignorability combined with an odds ratio sensitivity parameterization, which relaxes the monotonicity assumption. To efficiently learn these estimands, we propose a novel doubly cross-fit doubly robust machine learner that resolves the nested nuisance structure inherent to principal stratification. Leveraging sequential orthogonal learning with regularized least-squares sieves, we derive $\mathcal{L}^2$ and uniform limit theory, establish oracle efficiency, and construct uniform confidence bands for the proposed estimator. We use simulations to demonstrate the finite-sample performance of our estimator, and provide an empirical analysis of a randomized trial in acute lung injury, revealing informative patterns of treatment effect heterogeneity within the always-survivor subpopulation.


Variance Reduction for Stochastic Gradient Generalized Non-reversible Langevin Monte Carlo Algorithms

arXiv.org Machine Learning

We study the leading-order fluctuation of stochastic gradient Euler-Maruyama estimators for generalized non-reversible Langevin dynamics. Under structural assumptions tailored to the small-stepsize central limit theorem and under an unbiased stochastic gradient oracle, we prove that the empirical average over a horizon of order the inverse squared stepsize satisfies a central limit theorem in the vanishing-stepsize regime. The limiting variance is characterized through the Poisson equation of the limiting full-gradient diffusion. We then rewrite this constant in an operator form that links it to the continuous-time asymptotic variance and, under standard operator-theoretic assumptions, derive a sufficient condition under which an anti-symmetric perturbation strictly reduces the leading-order fluctuation constant relative to the reversible baseline. We also identify bounded smooth predictive observables that re directly covered by the main theorem. As a separate Gaussian calculation beyond the bounded-test-function regime, we obtain closed-form formulas for quadratic Hamiltonians and linear observables. The framework covers non-reversible Langevin dynamics and augmented-state examples including Hessian-free high-resolution dynamics and a positive-definite subclass of gradient-adjusted underdamped Langevin dynamics that allow stochastic gradients. Numerical experiments on basic examples and Bayesian linear regression using synthetic data, and Bayesian logistic regression using real data support the predicted Gaussian fluctuations and show that the non-reversible schemes consistently reduce the root mean squared error (RMSE) relative to their reversible baselines.


Improving Patient Subtyping on Longitudinal Data using Representations from Mamba-based Architecture

arXiv.org Machine Learning

Effective sub-typing (also known as grouping or clustering) of patients using their electronic health record (EHR) data can greatly inform precision medicine efforts. However, subtyping temporal EHR datasets is known to be challenging due to inherent EHR issues, including complexity and irregularity. In this study, we propose a self-supervised Mamba-based model that learns effective EHR representations and enables enhanced patient subtyping. We evaluate the proposed model on public and private real-world EHR datasets to classify the data based on the available labels and subtype patients based on the representations learned from the model. Through an extensive set of experiments, we demonstrate that our model's design choices lead to better performance compared to competitive baseline models for prediction. Moreover, we evaluate several clustering techniques to demonstrate that our findings offer valuable insights into subtyping patients based on temporal records from EHR models\footnote{Our implementations are available at https://github.com/healthylaife/triplet_mamba.


I-BBS: Coordinate-Free Inference of Latent Sub-Manifolds Using Random Distance Matrix Theory

arXiv.org Machine Learning

Bogomolny, Bohigas and Schmit (BBS) found that the spectrum of the pairwise distance matrix on N points sampled from a smooth d-dimensional manifold encodes a signature of the underlying geometry. We develop I-BBS (Inference-BBS), a coordinate-free method that identifies a low-dimensional latent sub-manifold embedded in a high-dimensional ambient distance matrix alone, without accessing an ambient high-dimensional vector space. It therefore applies even when that space is only partly observable or undefined. We model the ambient embedding by two classes of generative noise, model-based and model-free. The noise mixes the latent signal with off-manifold components, so the eigenvalues reorganise collectively and the latent geometry cannot be read off eigenvalue by eigenvalue. We recover it instead from two integer-stable signatures that survive the noise: the multiplicity of the top non-Perron multiplet, which fixes $d$, and a parameter-free law for how the multiplet positions shrink as the noise grows. On synthetic spheres $S^1$, $S^2$ and $S^3$ these integer signatures are far more stable under noise than the continuous spectral slope, and a blind test recovers both the manifold and the noise model from a single distance matrix. Applications to neural-network representations and to the dynamic training regime are developed in two companion papers.


Non-parametric recovery of causal diffusion mechanisms from steady-state observations

arXiv.org Machine Learning

We consider sparse multivariate stochastic systems that evolve in continuous time according to a causal mechanism and present methodology to recover the system's time-infinitesimal transition mechanism from mere cross-sectional data. This observational paradigm is motivated by applications such as gene expression analysis, where destructive experimental techniques may only allow recording data once over a cell's lifetime. Precisely, we assume the system follows a time-homogeneous diffusion process that has reached an equilibrium distribution at observation time. Further, we assume the causal mechanism is fully described by the diffusion drift, is acyclic, and its causal structure graph is known. In this setting, we prove that the full causal mechanism, i.e., the drift function, can be non-parametrically identified under a weak non-explosion criterion. We derive a non-parametric kernel estimator for this challenging inverse problem and prove its consistency. Moreover, we propose a cross-validation scheme for hyperparameter tuning, illustrate the behavior of our estimator in simulations, and we discuss connections with irreversible generative diffusion models and low-frequency sampled data.


Multivariate Varying-Coefficient BART with Graphical Horseshoe Priors

arXiv.org Machine Learning

Modern multivariate regression problems involve several related outcomes whose regression effects are not only nonlinear, heterogeneous, and outcome-specific, but also where the residual dependence among outcomes is scientifically meaningful. Existing multivariate Bayesian tree-based methods typically address only part of this problem: some impose substantial sharing of tree architecture across outcomes, which is overly restrictive when responses depend on distinct predictors or effect modifiers, while others accommodate residual dependence but retain simpler mean structures. This paper develops multiVCBART, a multivariate varying-coefficient Bayesian additive regression tree framework that jointly models flexible outcome-specific coefficient surfaces and a sparse residual precision matrix. Each entry of the coefficient matrix $B(x)$ is represented by an independent BART ensemble, allowing predictor effects to vary nonlinearly with modifiers $x$ across outcomes, while a Graphical Horseshoe prior on the precision matrix $Ω$ captures parsimonious residual conditional dependence. To permit efficient computation, we introduce a sampler that reduces the multivariate Gaussian likelihood to a sequence of scalar pseudo-response updates, decoupling the tree backfitting from the Graphical Horseshoe step. Theoretically, we establish the first posterior contraction rates for a multivariate BART model with jointly estimated residual dependence, proving near-minimax adaptation to underlying smoothness and structural sparsity. Empirically, multiVCBART outperforms existing multivariate tree models and Bayesian SUR competitors on sparse, high-dimensional datasets. Finally, in a re-analysis of the Genomics of Drug Sensitivity in Cancer dataset, our method identifies distinct biomarker signals and recovers a coherent residual pharmacologic network.


Doubly Robust Adaptive Conformal Inference for Causal Effects Under Temporal Dependence

arXiv.org Machine Learning

We propose doubly robust adaptive conformal inference (DR-ACI), which constructs prediction intervals for doubly robust pseudo-outcomes under temporal dependence. Calibration targets the pseudo-outcome ψDRt; under estimator consistency, this yields asymptotically conservative CATE containment (Corollary 6). Temporal block cross-fitting preserves switch-coefficient mixing bounds and the DML product-bias rate up to an explicit coupling remainder.


ITSPACE: Monotone Gaussian Optimal Transport Updates

arXiv.org Machine Learning

Covariance matrices serve as compact descriptors of feature distributions in many machine-learning pipelines, including domain adaptation and Gaussian embeddings. Under a centered Gaussian approximation, the unregularized Wasserstein-2 optimal-transport (OT) discrepancy admits a closed form on covariances given by the Bures-Wasserstein (BW) objective on the symmetric positive definite (SPD) cone. We propose ITSPACE (Iterative Transport for Stable Proximal Alignment of Covariance Embeddings), a proximal majorization-minimization method that directly optimizes this exact BW objective through closed-form updates in a square-root factorization. In exact arithmetic, each iteration satisfies a sufficient-decrease inequality for the BW objective; under inexact polar computations, we provide an explicit certificate-gap bound controlling deviations from exact descent. The resulting iterations preserve PSD structure by construction and naturally support rank-restricted factors, making ITSPACE well-suited as a lightweight inner-loop primitive in settings where adaptation must be performed from unlabeled target batches under strict step and compute budgets. Across real-world covariance-alignment benchmarks, ITSPACE reaches low-BW-gap solutions substantially faster than BW-gradient descent, methods based on other covariance geometries, and entropically regularized sample-OT baselines.