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Identifiable Deep Latent Variable Models for MNAR Data

arXiv.org Machine Learning

Missing data is a ubiquitous challenge in data analysis, often leading to biased and inaccurate results. Traditional imputation methods usually assume that the missingness mechanism is missing-at-random (MAR), where the missingness is independent of the missing values themselves. This assumption is frequently violated in real-world scenarios, prompted by recent advances in imputation methods using deep learning to address this challenge. However, these methods neglect the crucial issue of nonparametric identifiability in missing-not-at-random (MNAR) data, which can lead to biased and unreliable results. This paper seeks to bridge this gap by proposing a novel framework based on deep latent variable models for MNAR data. Building on the assumption of conditional no self-censoring given latent variables, we establish the identifiability of the data distribution. This crucial theoretical result guarantees the feasibility of our approach. To effectively estimate unknown parameters, we develop an efficient algorithm utilizing importance-weighted autoencoders. We demonstrate, both theoretically and empirically, that our estimation process accurately recovers the ground-truth joint distribution under specific regularity conditions. Extensive simulation studies and real-world data experiments showcase the advantages of our proposed method compared to various classical and state-of-the-art approaches to missing data imputation.


Sparse Weak-Form Discovery of Stochastic Generators

arXiv.org Machine Learning

The proposed algorithm seeks to provide a novel data-driven framework for the discovery of stochastic differential equations (SDEs) by application of the Weak-formulation to stochastic SINDy. This Weak formulation of the algorithm provides a noise-robust methodology that avoids traditional noisy derivative computation using finite differences. An additional novelty is the adoption of spatial Gaussian test functions in place of temporal test functions, wherein the use of the kernel weight $K_j(X_{t_n})$ guarantees unbiasedness in expectation and prevents the structural regression bias that is otherwise pertinent with temporal test functions. The proposed framework converts the SDE identification problem into two SINDy based linear sparse identification problems. We validate the algorithm on three SDEs, for which we recover all active non-linear terms with coefficient errors below 4%, stationary-density total-variation distances below 0.01, and autocorrelation functions that reproduce true relaxation timescales across all three benchmarks faithfully.


Conformal Selective Prediction with General Risk Control

arXiv.org Machine Learning

In deploying artificial intelligence (AI) models, selective prediction offers the option to abstain from making a prediction when uncertain about model quality. To fulfill its promise, it is crucial to enforce strict and precise error control over cases where the model is trusted. We propose Selective Conformal Risk control with E-values (SCoRE), a new framework for deriving such decisions for any trained model and any user-defined, bounded and continuously-valued risk. SCoRE offers two types of guarantees on the risk among ``positive'' cases in which the system opts to trust the model. Built upon conformal inference and hypothesis testing ideas, SCoRE first constructs a class of (generalized) e-values, which are non-negative random variables whose product with the unknown risk has expectation no greater than one. Such a property is ensured by data exchangeability without requiring any modeling assumptions. Passing these e-values on to hypothesis testing procedures, we yield the binary trust decisions with finite-sample error control. SCoRE avoids the need of uniform concentration, and can be readily extended to settings with distribution shifts. We evaluate the proposed methods with simulations and demonstrate their efficacy through applications to error management in drug discovery, health risk prediction, and large language models.


Probabilistic Geometric Alignment via Bayesian Latent Transport for Domain-Adaptive Foundation Models

arXiv.org Machine Learning

Adapting large-scale foundation models to new domains with limited supervision remains a fundamental challenge due to latent distribution mismatch, unstable optimization dynamics, and miscalibrated uncertainty propagation. This paper introduces an uncertainty-aware probabilistic latent transport framework that formulates domain adaptation as a stochastic geometric alignment problem in representation space. A Bayesian transport operator is proposed to redistribute latent probability mass along Wasserstein-type geodesic trajectories, while a PAC-Bayesian regularization mechanism constrains posterior model complexity to mitigate catastrophic overfitting. The proposed formulation yields theoretical guarantees on convergence stability, loss landscape smoothness, and sample efficiency under distributional shift. Empirical analyses demonstrate substantial reduction in latent manifold discrepancy, accelerated transport energy decay, and improved covariance calibration compared with deterministic fine-tuning and adversarial domain adaptation baselines. Furthermore, bounded posterior uncertainty evolution indicates enhanced probabilistic reliability during cross-domain transfer. By establishing a principled connection between stochastic optimal transport geometry and statistical generalization theory, the proposed framework provides new insights into robust adaptation of modern foundation architectures operating in heterogeneous environments. These findings suggest that uncertainty-aware probabilistic alignment constitutes a promising paradigm for reliable transfer learning in next-generation deep representation systems.


Identification of physiological shock in intensive care units via Bayesian regime switching models

arXiv.org Machine Learning

Detection of occult hemorrhage (i.e., internal bleeding) in patients in intensive care units (ICUs) can pose significant challenges for critical care workers. Because blood loss may not always be clinically apparent, clinicians rely on monitoring vital signs for specific trends indicative of a hemorrhage event. The inherent difficulties of diagnosing such an event can lead to late intervention by clinicians which has catastrophic consequences. Therefore, a methodology for early detection of hemorrhage has wide utility. We develop a Bayesian regime switching model (RSM) that analyzes trends in patients' vitals and labs to provide a probabilistic assessment of the underlying physiological state that a patient is in at any given time. This article is motivated by a comprehensive dataset we curated from Mayo Clinic of 33,924 real ICU patient encounters. Longitudinal response measurements are modeled as a vector autoregressive process conditional on all latent states up to the current time point, and the latent states follow a Markov process. We present a novel Bayesian sampling routine to learn the posterior probability distribution of the latent physiological states, as well as develop an approach to account for pre-ICU-admission physiological changes. A simulation and real case study illustrate the effectiveness of our approach.


How unconstrained machine-learning models learn physical symmetries

arXiv.org Machine Learning

The requirement of generating predictions that exactly fulfill the fundamental symmetry of the corresponding physical quantities has profoundly shaped the development of machine-learning models for physical simulations. In many cases, models are built using constrained mathematical forms that ensure that symmetries are enforced exactly. However, unconstrained models that do not obey rotational symmetries are often found to have competitive performance, and to be able to \emph{learn} to a high level of accuracy an approximate equivariant behavior with a simple data augmentation strategy. In this paper, we introduce rigorous metrics to measure the symmetry content of the learned representations in such models, and assess the accuracy by which the outputs fulfill the equivariant condition. We apply these metrics to two unconstrained, transformer-based models operating on decorated point clouds (a graph neural network for atomistic simulations and a PointNet-style architecture for particle physics) to investigate how symmetry information is processed across architectural layers and is learned during training. Based on these insights, we establish a rigorous framework for diagnosing spectral failure modes in ML models. Enabled by this analysis, we demonstrate that one can achieve superior stability and accuracy by strategically injecting the minimum required inductive biases, preserving the high expressivity and scalability of unconstrained architectures while guaranteeing physical fidelity.


Persistence-based topological optimization: a survey

arXiv.org Machine Learning

Computational topology provides a tool, persistent homology, to extract quantitative descriptors from structured objects (images, graphs, point clouds, etc). These descriptors can then be involved in optimization problems, typically as a way to incorporate topological priors or to regularize machine learning models. This is usually achieved by minimizing adequate, topologically-informed losses based on these descriptors, which, in turn, naturally raises theoretical and practical questions about the possibility of optimizing such loss functions using gradient-based algorithms. This has been an active research field in the topological data analysis community over the last decade, and various techniques have been developed to enable optimization of persistence-based loss functions with gradient descent schemes. This survey presents the current state of this field, covering its theoretical foundations, the algorithmic aspects, and showcasing practical uses in several applications. It includes a detailed introduction to persistence theory and, as such, aims at being accessible to mathematicians and data scientists newcomers to the field. It is accompanied by an open-source library which implements the different approaches covered in this survey, providing a convenient playground for researchers to get familiar with the field.


A Causal Framework for Evaluating ICU Discharge Strategies

arXiv.org Machine Learning

In this applied paper, we address the difficult open problem of when to discharge patients from the Intensive Care Unit. This can be conceived as an optimal stopping scenario with three added challenges: 1) the evaluation of a stopping strategy from observational data is itself a complex causal inference problem, 2) the composite objective is to minimize the length of intervention and maximize the outcome, but the two cannot be collapsed to a single dimension, and 3) the recording of variables stops when the intervention is discontinued. Our contributions are two-fold. First, we generalize the implementation of the g-formula Python package, providing a framework to evaluate stopping strategies for problems with the aforementioned structure, including positivity and coverage checks. Second, with a fully open-source pipeline, we apply this approach to MIMIC-IV, a public ICU dataset, demonstrating the potential for strategies that improve upon current care.


Fair regression under localized demographic parity constraints

arXiv.org Machine Learning

Demographic parity (DP) is a widely used group fairness criterion requiring predictive distributions to be invariant across sensitive groups. While natural in classification, full distributional DP is often overly restrictive in regression and can lead to substantial accuracy loss. We propose a relaxation of DP tailored to regression, enforcing parity only at a finite set of quantile levels and/or score thresholds. Concretely, we introduce a novel (${\ell}$, Z)-fair predictor, which imposes groupwise CDF constraints of the form F f |S=s (z m ) = ${\ell}$ m for prescribed pairs (${\ell}$ m , z m ). For this setting, we derive closed-form characterizations of the optimal fair discretized predictor via a Lagrangian dual formulation and quantify the discretization cost, showing that the risk gap to the continuous optimum vanishes as the grid is refined. We further develop a model-agnostic post-processing algorithm based on two samples (labeled for learning a base regressor and unlabeled for calibration), and establish finite-sample guarantees on constraint violation and excess penalized risk. In addition, we introduce two alternative frameworks where we match group and marginal CDF values at selected score thresholds. In both settings, we provide closed-form solutions for the optimal fair discretized predictor. Experiments on synthetic and real datasets illustrate an interpretable fairness-accuracy trade-off, enabling targeted corrections at decision-relevant quantiles or thresholds while preserving predictive performance.


Instance-optimal stochastic convex optimization: Can we improve upon sample-average and robust stochastic approximation?

arXiv.org Machine Learning

We study the unconstrained minimization of a smooth and strongly convex population loss function under a stochastic oracle that introduces both additive and multiplicative noise; this is a canonical and widely-studied setting that arises across operations research, signal processing, and machine learning. We begin by showing that standard approaches such as sample average approximation and robust (or averaged) stochastic approximation can lead to suboptimal -- and in some cases arbitrarily poor -- performance with realistic finite sample sizes. In contrast, we demonstrate that a carefully designed variance reduction strategy, which we term VISOR for short, can significantly outperform these approaches while using the same sample size. Our upper bounds are complemented by finite-sample, information-theoretic local minimax lower bounds, which highlight fundamental, instance-dependent factors that govern the performance of any estimator. Taken together, these results demonstrate that an accelerated variant of VISOR is instance-optimal, achieving the best possible sample complexity up to logarithmic factors while also attaining optimal oracle complexity. We apply our theory to generalized linear models and improve upon classical results. In particular, we obtain the best-known non-asymptotic, instance-dependent generalization error bounds for stochastic methods, even in linear regression.