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 Statistical Learning


Jeffreys Flow: Robust Boltzmann Generators for Rare Event Sampling via Parallel Tempering Distillation

arXiv.org Machine Learning

Sampling physical systems with rough energy landscapes is hindered by rare events and metastable trapping. While Boltzmann generators already offer a solution, their reliance on the reverse Kullback--Leibler divergence frequently induces catastrophic mode collapse, missing specific modes in multi-modal distributions. Here, we introduce the Jeffreys Flow, a robust generative framework that mitigates this failure by distilling empirical sampling data from Parallel Tempering trajectories using the symmetric Jeffreys divergence. This formulation effectively balances local target-seeking precision with global modes coverage. We show that minimizing Jeffreys divergence suppresses mode collapse and structurally corrects inherent inaccuracies via distillation of the empirical reference data. We demonstrate the framework's scalability and accuracy on highly non-convex multidimensional benchmarks, including the systematic correction of stochastic gradient biases in Replica Exchange Stochastic Gradient Langevin Dynamics and the massive acceleration of exact importance sampling in Path Integral Monte Carlo for quantum thermal states.


High-dimensional reliability-based design optimization using stochastic emulators

arXiv.org Machine Learning

Reliability-based design optimization (RBDO) is traditionally formulated as a nested optimization and reliability problem. Although surrogate models are generally employed to improve efficiency, the approach remains computationally prohibitive in high-dimensional settings. This paper proposes a novel RBDO framework based on a stochastic simulator viewpoint, in which the deterministic limit-state function and the uncertainty in the model inputs are combined into a unified stochastic representation. Under this formulation, the system response conditioned on a given design is modeled directly through its output distribution, rather than through an explicit limit-state function. Stochastic emulators are constructed in the design space to approximate the conditional response distribution, enabling the semi-analytical evaluation of failure probabilities or associated quantiles without resorting to Monte Carlo simulation. Two classes of stochastic emulators are investigated, namely generalized lambda models and stochastic polynomial chaos expansions. Both approaches provide a deterministic mapping between design variables and reliability constraints, which breaks the classical double-loop structure of RBDO and allows the use of standard deterministic optimization algorithms. The performance of the proposed approach is evaluated on a set of benchmark problems with dimensionality ranging from low to very high, including a case with stochastic excitation. The results are compared against a Kriging-based approach formulated in the full input space. The proposed method yields substantial computational gains, particularly in high-dimensional settings. While its efficiency is comparable to Kriging for low-dimensional problems, it significantly outperforms Kriging as the dimensionality increases.


Learning Nonlinear Regime Transitions via Semi-Parametric State-Space Models

arXiv.org Machine Learning

We develop a semi-parametric state-space model for time-series data with latent regime transitions. Classical Markov-switching models use fixed parametric transition functions, such as logistic or probit links, which restrict flexibility when transitions depend on nonlinear and context-dependent effects. We replace this assumption with learned functions $f_0, f_1 \in \calH$, where $\calH$ is either a reproducing kernel Hilbert space or a spline approximation space, and define transition probabilities as $p_{jk,t} = \sigmoid(f(\bx_{t-1}))$. The transition functions are estimated jointly with emission parameters using a generalized Expectation-Maximization algorithm. The E-step uses the standard forward-backward recursion, while the M-step reduces to a penalized regression problem with weights from smoothed occupation measures. We establish identifiability conditions and provide a consistency argument for the resulting estimators. Experiments on synthetic data show improved recovery of nonlinear transition dynamics compared to parametric baselines. An empirical study on financial time series demonstrates improved regime classification and earlier detection of transition events.


Expectation Maximization (EM) Converges for General Agnostic Mixtures

arXiv.org Machine Learning

Mixture of linear regression is well studied in statistics and machine learning, where the data points are generated probabilistically using $k$ linear models. Algorithms like Expectation Maximization (EM) may be used to recover the ground truth regressors for this problem. Recently, in \cite{pal2022learning,ghosh_agnostic} the mixed linear regression problem is studied in the agnostic setting, where no generative model on data is assumed. Rather, given a set of data points, the objective is \emph{fit} $k$ lines by minimizing a suitable loss function. It is shown that a modification of EM, namely gradient EM converges exponentially to appropriately defined loss minimizer even in the agnostic setting. In this paper, we study the problem of \emph{fitting} $k$ parametric functions to given set of data points. We adhere to the agnostic setup. However, instead of fitting lines equipped with quadratic loss, we consider any arbitrary parametric function fitting equipped with a strongly convex and smooth loss. This framework encompasses a large class of problems including mixed linear regression (regularized), mixed linear classifiers (mixed logistic regression, mixed Support Vector Machines) and mixed generalized linear regression. We propose and analyze gradient EM for this problem and show that with proper initialization and separation condition, the iterates of gradient EM converge exponentially to appropriately defined population loss minimizers with high probability. This shows the effectiveness of EM type algorithm which converges to \emph{optimal} solution in the non-generative setup beyond mixture of linear regression.


MEC: Machine-Learning-Assisted Generalized Entropy Calibration for Semi-Supervised Mean Estimation

arXiv.org Machine Learning

Obtaining high-quality labels is costly, whereas unlabeled covariates are often abundant, motivating semi-supervised inference methods with reliable uncertainty quantification. Prediction-powered inference (PPI) leverages a machine-learning predictor trained on a small labeled sample to improve efficiency, but it can lose efficiency under model misspecification and suffer from coverage distortions due to label reuse. We introduce Machine-Learning-Assisted Generalized Entropy Calibration (MEC), a cross-fitted, calibration-weighted variant of PPI. MEC improves efficiency by reweighting labeled samples to better align with the target population, using a principled calibration framework based on Bregman projections. This yields robustness to affine transformations of the predictor and relaxes requirements for validity by replacing conditions on raw prediction error with weaker projection-error conditions. As a result, MEC attains the semiparametric efficiency bound under weaker assumptions than existing PPI variants. Across simulations and a real-data application, MEC achieves near-nominal coverage and tighter confidence intervals than CF-PPI and vanilla PPI.


Task Ecologies and the Evolution of World-Tracking Representations in Large Language Models

arXiv.org Machine Learning

We study language models as evolving model organisms and ask when autoregressive next-token learning selects for world-tracking representations. For any encoding of latent world states, the Bayes-optimal next-token cross-entropy decomposes into the irreducible conditional entropy plus a Jensen--Shannon excess term. That excess vanishes if and only if the encoding preserves the training ecology's equivalence classes. This yields a precise notion of ecological veridicality for language models and identifies the minimum-complexity zero-excess solution as the quotient partition by training equivalence. We then determine when this fixed-encoding analysis applies to transformer families: frozen dense and frozen Mixture-of-Experts transformers satisfy it, in-context learning does not enlarge the model's separation set, and per-task adaptation breaks the premise. The framework predicts two characteristic failure modes: simplicity pressure preferentially removes low-gain distinctions, and training-optimal models can still incur positive excess on deployment ecologies that refine the training ecology. A conditional dynamic extension shows how inter-model selection and post-training can recover such gap distinctions under explicit heredity, variation, and selection assumptions. Exact finite-ecology checks and controlled microgpt experiments validate the static decomposition, split-merge threshold, off-ecology failure pattern, and two-ecology rescue mechanism in a regime where the relevant quantities are directly observable. The goal is not to model frontier systems at scale, but to use small language models as laboratory organisms for theory about representational selection.


Identification and Inference in Nonlinear Dynamic Network Models

arXiv.org Machine Learning

We study identification and inference in nonlinear dynamic systems defined on unknown interaction networks. The system evolves through an unobserved dependence matrix governing cross-sectional shock propagation via a nonlinear operator. We show that the network structure is not generically identified, and that identification requires sufficient spectral heterogeneity. In particular, identification arises when the network induces non-exchangeable covariance patterns through heterogeneous amplification of eigenmodes. When the spectrum is concentrated, dependence becomes observationally equivalent to common shocks or scalar heterogeneity, leading to non-identification. We provide necessary and sufficient conditions for identification, characterize observational equivalence classes, and propose a semiparametric estimator with asymptotic theory. We also develop tests for network dependence whose power depends on spectral properties of the interaction matrix. The results apply to a broad class of economic models, including production networks, contagion models, and dynamic interaction systems.


A Muon-Accelerated Algorithm for Low Separation Rank Tensor Generalized Linear Models

arXiv.org Machine Learning

Tensor-valued data arise naturally in multidimensional signal and imaging problems, such as biomedical imaging. When incorporated into generalized linear models (GLMs), naive vectorization can destroy their multi-way structure and lead to high-dimensional, ill-posed estimation. To address this challenge, Low Separation Rank (LSR) decompositions reduce model complexity by imposing low-rank multilinear structure on the coefficient tensor. A representative approach for estimating LSR-based tensor GLMs (LSR-TGLMs) is the Low Separation Rank Tensor Regression (LSRTR) algorithm, which adopts block coordinate descent and enforces orthogonality of the factor matrices through repeated QR-based projections. However, the repeated projection steps can be computationally demanding and slow convergence. Motivated by the need for scalable estimation and classification from such data, we propose LSRTR-M, which incorporates Muon (MomentUm Orthogonalized by Newton-Schulz) updates into the LSRTR framework. Specifically, LSRTR-M preserves the original block coordinate scheme while replacing the projection-based factor updates with Muon steps. Across synthetic linear, logistic, and Poisson LSR-TGLMs, LSRTR-M converges faster in both iteration count and wall-clock time, while achieving lower normalized estimation and prediction errors. On the Vessel MNIST 3D task, it further improves computational efficiency while maintaining competitive classification performance.


Fréchet Regression on the Bures-Wasserstein Manifold

arXiv.org Machine Learning

Fréchet regression, or conditional Barycenters, is a flexible framework for modeling relationships between covariates (usually Euclidean) and response variables on general metric spaces, e.g., probability distributions or positive definite matrices. However, in contrast to classical barycenter problems, computing conditional counterparts in many non-Euclidean spaces remains an open challenge, as they yield non-convex optimization problems with an affine structure. In this work, we study the existence and computation of conditional barycenters, specifically in the space of positive-definite matrices with the Bures-Wasserstein metric. We provide a sufficient condition for the existence of a minimizer of the conditional barycenter problem that characterizes the regression range of extrapolation. Moreover, we further characterize the optimization landscape, proving that under this condition, the objective is free of local maxima. Additionally, we develop a projection-free and provably correct algorithm for the approximate computation of first-order stationary points. Finally, we provide a stochastic reformulation that enables the use of off-the-shelf stochastic Riemannian optimization methods for large-scale setups. Numerical experiments validate the performance of the proposed methods on regression problems of real-world biological networks and on large-scale synthetic Diffusion Tensor Imaging problems.


Fused Multinomial Logistic Regression Utilizing Summary-Level External Machine-learning Information

arXiv.org Machine Learning

In many modern applications, a carefully designed primary study provides individual-level data for interpretable modeling, while summary-level external information is available through black-box, efficient, and nonparametric machine-learning predictions. Although summary-level external information has been studied in the data integration literature, there is limited methodology for leveraging external nonparametric machine-learning predictions to improve statistical inference in the primary study. We propose a general empirical-likelihood framework that incorporates external predictions through moment constraints. An advantage of nonparametric machine-learning prediction is that it induces a rich class of valid moment restrictions that remain robust to covariate shift under a mild overlap condition without requiring explicit density-ratio modeling. We focus on multinomial logistic regression as the primary model and address common data-quality issues in external sources, including coarsened outcomes, partially observed covariates, covariate shift, and heterogeneity in generating mechanisms known as concept shift. We establish large-sample properties of the resulting fused estimator, including consistency and asymptotic normality under regularity conditions. Moreover, we provide mild sufficient conditions under which incorporating external predictions delivers a strict efficiency gain relative to the primary-only estimator. Simulation studies and an application to the National Health and Nutrition Examination Survey on multiclass blood-pressure classification.