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Learning Latent Variable Models via Jarzynski-adjusted Langevin Algorithm

Neural Information Processing Systems

We utilise a sampler originating from nonequilibrium statistical mechanics, termed here Jarzynski-adjusted Langevin algorithm (JALA), to build statistical estimation methods in latent variable models. We achieve this by leveraging Jarzynski's equality and developing algorithms based on a weighted version of the unadjusted Langevin algorithm (ULA) with recursively updated weights. Adapting this for latent variable models, we develop a sequential Monte Carlo (SMC) method that provides the maximum marginal likelihood estimate of the parameters, termed JALA-EM. Under suitable regularity assumptions on the marginal likelihood, we provide a nonasymptotic analysis of the JALA-EM scheme implemented with stochastic gradient descent and show that it provably converges to the maximum marginal likelihood estimate. We demonstrate the performance of JALA-EM on a variety of latent variable models and show that it performs comparably to existing methods in terms of accuracy and computational efficiency. Importantly, the ability to recursively estimate marginal likelihoods--an uncommon feature among scalable methods--makes our approach particularly suited for model selection, which we validate through dedicated experiments.


Uncertainty Quantification for Deep Regression using Contextualised Normalizing Flows

Neural Information Processing Systems

Quantifying uncertainty in deep regression models is important both for understanding the confidence of the model and for safe decision-making in high-risk domains. Existing approaches that yield prediction intervals overlook distributional information, neglecting the effect of multimodal or asymmetric distributions on decision-making.


Semi-Supervised Regression with Heteroscedastic Pseudo-Labels

Neural Information Processing Systems

Pseudo-labeling is a commonly used paradigm in semi-supervised learning, yet its application to semi-supervised regression (SSR) remains relatively under-explored. Unlike classification, where pseudo-labels are discrete and confidence-based filtering is effective, SSR involves continuous outputs with heteroscedastic noise, making it challenging to assess pseudo-label reliability. As a result, naive pseudolabeling can lead to error accumulation and overfitting to incorrect labels. To address this, we propose an uncertainty-aware pseudo-labeling framework that dynamically adjusts pseudo-label influence from a bi-level optimization perspective. By jointly minimizing empirical risk over all data and optimizing uncertainty estimates to enhance generalization on labeled data, our method effectively mitigates the impact of unreliable pseudo-labels. We provide theoretical insights and extensive experiments to validate our approach across various benchmark SSR datasets, and the results demonstrate superior robustness and performance compared to existing methods. Our code is available at https://github.com/sxq/HeteroscedasticPseudo-Labels.


A Closer Look at NTK Alignment: Linking Phase Transitions in Deep Image Regression

Neural Information Processing Systems

Deep neural networks trained with gradient descent exhibit varying rates of learning for different patterns. However, the complexity of fitting models to data makes direct elucidation of the dynamics of learned patterns challenging. To circumvent this, many works have opted to characterize phases of learning through summary statistics known as order parameters. In this work, we propose a unifying framework for constructing order parameters based on the Neural Tangent Kernel (NTK), in which the relationship with the data set is more transparent. In particular, we derive a local approximation of the NTK for a class of deep regression models (SIRENs) trained to reconstruct natural images. In so doing, we analytically connect three seemingly distinct phase transitions: the emergence of wave patterns in residuals (a novel observation), loss rate collapse, and NTK alignment. Our results provide a dynamical perspective on the observed biases of SIRENs, and deep image regression models more generally.


Insurance Pricing Optimization via Off-Policy Evaluation

arXiv.org Machine Learning

Traditional insurance pricing relies on risk-based principles that ensure actuarial fairness and solvency but do not explicitly account for policyholders' price sensitivity. We formulate insurance pricing as a decision-making problem and study it using tools from off-policy evaluation and stochastic control. We propose a kernelized inverse propensity score estimator that exploits local structure in the action space and yields variance reduction compared to the classical inverse propensity score estimator. Building on these value estimates, we investigate policy optimization and present two practical approaches for computing optimal pricing rules: an interpretable data-shared Lasso formulation and a flexible policy parameterization based on neural networks. Using a controlled synthetic travel insurance environment, we empirically confirm the theoretical results and show that neural networks outperform existing techniques for policy optimization.


Deep Neural Networks for Doubly Robust Estimation with Nonprobability Survey Samples

arXiv.org Machine Learning

Integrating probability and nonprobability survey samples is an important problem in modern survey sampling. Nonprobability samples often contain rich outcome information but may lack population representativeness, whereas probability samples provide design-based auxiliary information but may not contain the study variable. We propose a deep neural network (DNN)-assisted doubly robust framework for estimating the finite population mean from these two data sources. The proposed method models the logit sampling score for the nonprobability sample as an unknown nonparametric function and estimates it by maximizing a pseudo-likelihood that combines information from the nonprobability sample and a reference probability sample. The DNN parameters are optimized using the ADAM algorithm. The resulting DNN-estimated sampling scores are incorporated into a DNN-assisted inverse-probability weighted estimator and a deep doubly robust estimator. We establish consistency and convergence rates under regularity conditions and evaluate the finite-sample performance of the proposed estimators through simulation studies and an empirical application using Pew Research Center and Behavioral Risk Factor Surveillance System data. The results suggest that the proposed estimators can improve robustness to parametric propensity-score misspecification, especially when the true selection mechanism is nonlinear.


Posterior Contraction of Lรฉvy Adaptive B-spline Regression in Besov Spaces

arXiv.org Machine Learning

We investigate the asymptotic properties of the Lรฉvy Adaptive B-spline (LABS) regression model, a Bayesian nonparametric method that incorporates B-spline kernels into the Lรฉvy Adaptive Regression Kernel (LARK) model. LABS applies splines of varying degrees with independently defined knots, yielding a flexible model class capable of adapting to irregular and locally structured features of the true function. Within the nonparametric regression framework with univariate random design and Gaussian errors, we establish that the LABS posterior contracts around the true function in Besov classes at nearly minimax-optimal rates, up to a logarithmic factor, while adapting automatically to unknown smoothness. This study contributes to filling a gap in the literature, where theoretical results on posterior contraction of the LARK model in Besov spaces remain scarce. Simulation experiments on standard test functions in Besov spaces, including Blocks, Bumps, HeaviSine, and Doppler, complement the theoretical results and demonstrate the practical utility of LABS.


Integrating Bayesian Spectral Deconvolution and Expert Scientific Reasoning for Robust Peak Estimation

arXiv.org Machine Learning

Spectral deconvolution is essential for extracting peak structures that encode material properties and chemical structures, but conventional automated methods often fail when spectra contain high-intensity noise or unknown background components. In practice, scientists rarely interpret spectra in isolation. Instead, they identify physically meaningful peaks by relating spectral structures to auxiliary information such as physical-property values, chemical structures, and trends across related measurements. Here, we propose a Bayesian framework that integrates spectral deconvolution with a model of expert scientific reasoning. In this work, expert scientific reasoning refers to the practice of evaluating candidate spectral structures by their consistency with independently measured physical-property values, rather than to manual expert intervention during inference. We formalize this reasoning as a physical-property regression layer, implemented using Gaussian process regression, and couple it with Bayesian spectral deconvolution. By averaging the physical-property likelihood over posterior predictive spectra inferred from Bayesian spectral deconvolution, the proposed method selects spectral models according to the consistency between inferred spectral structures and physical-property information. We validate the framework using synthetic spectra with high-intensity noise or unknown backgrounds and infrared spectra of poly(lactic acid). The method recovers physically meaningful peak structures that conventional Bayesian spectral deconvolution misses or misidentifies from spectra alone, including weak peaks in poly(lactic acid) IR spectra related to measured degradation rates. These results demonstrate that integrating expert scientific reasoning with Bayesian spectral deconvolution enables robust peak estimation under conditions where spectrum-only inference is unreliable.


Robust Tensor Regression with Nonconvexity: Algorithmic and Statistical Theory

arXiv.org Machine Learning

Tensor regression is an important tool for tensor data analysis, but existing works have not considered the impact of outliers, making them potentially sensitive to such data points. This paper proposes a low tubal rank robust regression method for analyzing high-dimensional tensor data with heavy-tailed random noise. The proposed method is based on a nonconvex relaxation of the tensor tubal rank within a general optimization framework, which allows for nonconvexity in both the loss and penalty functions. We develop an implementable estimation algorithm and establish its global convergence under some mild assumptions. Furthermore, we provide general statistical theories regarding stationary point, including the rates of convergence and bounds on the prediction error. These theoretical results cover many important models, such as linear models, generalized linear models, and Huber regression, and even encompass some nonconvex losses like correntropy and minimum distance criterion-induced losses. Supportive numerical evidence is provided through simulations and application studies.


The Bernstein-von Mises theorem for Bayesian one-pass online learning

arXiv.org Machine Learning

Bayesian online learning provides a coherent framework for sequential inference. However, its theoretical understanding remains limited, particularly in the one-pass setting. Existing theoretical guarantees typically require the mini-batch sample size to diverge, a condition that fails in the one-pass regime. In this paper, we propose a new Bayesian online learning algorithm tailored to the one-pass setting, which incorporates a warm-start phase to ensure stable sequential updates. For this algorithm, we show that the sequentially updated posterior attains the optimal convergence rate. Building on this, we establish an online analogue of the Bernstein-von Mises theorem, which guarantees valid uncertainty quantification without diverging mini-batch sample sizes. Our analysis is based on a novel theoretical framework that differs fundamentally from existing approaches in the online learning literature. Numerical experiments on generalized linear models show that the proposed method matches the performance of the batch estimator while outperforming existing online procedures.