Machine learning (ML) models have achieved strikingly high accuracies in spectroscopic classification tasks, often without a clear proof that those models used chemically meaningful features. Existing studies have linked these results to data preprocessing choices, noise sensitivity, and model complexity, but no unifying explanation is available so far. In this work, we show that these phenomena arise naturally from the intrinsic high dimensionality of spectral data. Using a theoretical analysis grounded in the Feldman-Hajek theorem and the concentration of measure, we show that even infinitesimal distributional differences, caused by noise, normalisation, or instrumental artefacts, may become perfectly separable in high-dimensional spaces. Through a series of specific experiments on synthetic and real fluorescence spectra, we illustrate how models can achieve near-perfect accuracy even when chemical distinctions are absent, and why feature-importance maps may highlight spectrally irrelevant regions. We provide a rigorous theoretical framework, confirm the effect experimentally, and conclude with practical recommendations for building and interpreting ML models in spectroscopy.

When deploying large language models (LLMs) to safety-critical applications, uncertainty quantification (UQ) is of utmost importance to self-assess the reliability of the LLM-based decisions. However, such decisions typically suffer from overconfidence, particularly after parameter-efficient fine-tuning (PEFT) for downstream domain-specific tasks with limited data. Existing methods to alleviate this issue either rely on Laplace approximation based post-hoc framework, which may yield suboptimal calibration depending on the training trajectory, or variational Bayesian training that requires multiple complete forward passes through the entire LLM backbone at inference time for Monte Carlo estimation, posing scalability challenges for deployment. To address these limitations, we build on the Bayesian last layer (BLL) model, where the LLM-based deterministic feature extractor is followed by random last layer parameters for uncertainty reasoning. Since existing low-rank adapters (LoRA) for PEFT have limited expressiveness due to rank collapse, we address this with Polar-decomposed Low-rank Adapter Representation (PoLAR), an orthogonalized parameterization paired with Riemannian optimization to enable more stable and expressive adaptation. Building on this PoLAR-BLL model, we leverage the variational (V) inference framework to put forth a scalable Bayesian fine-tuning approach which jointly seeks the PoLAR parameters and approximate posterior of the last layer parameters via alternating optimization. The resulting PoLAR-VBLL is a flexible framework that nicely integrates architecture-enhanced optimization with scalable Bayesian inference to endow LLMs with well-calibrated UQ. Our empirical results verify the effectiveness of PoLAR-VBLL in terms of generalization and uncertainty estimation on both in-distribution and out-of-distribution data for various common-sense reasoning tasks.

Be careful asking chatbots about your health. After George Mallon had his blood drawn at a routine physical, he learned that something may be gravely wrong. The preliminary results showed he might have blood cancer. Further tests would be needed. Left in suspense, he did what so many people do these days: He opened ChatGPT.

Multi-view data analysis seeks to integrate multiple representations of the same samples in order to recover a coherent low-dimensional structure. Classical approaches often rely on feature concatenation or explicit alignment assumptions, which become restrictive under heterogeneous geometries or nonlinear distortions. In this work, we propose two geometry-aware multi-view embedding strategies grounded in Gromov-Wasserstein (GW) optimal transport. The first, termed Mean-GWMDS, aggregates view-specific relational information by averaging distance matrices and applying GW-based multidimensional scaling to obtain a representative embedding. The second strategy, referred to as Multi-GWMDS, adopts a selection-based paradigm in which multiple geometry-consistent candidate embeddings are generated via GW-based alignment and a representative embedding is selected. Experiments on synthetic manifolds and real-world datasets show that the proposed methods effectively preserve intrinsic relational structure across views. These results highlight GW-based approaches as a flexible and principled framework for multi-view representation learning.

It is known that the minimum-mean-squared-error (MMSE) denoiser under Gaussian noise can be written as a proximal operator, which suffices for asymptotic convergence of plug-and-play (PnP) methods but does not reveal the structure of the induced regularizer or give convergence rates. We show that the MMSE denoiser corresponds to a regularizer that can be written explicitly as an upper Moreau envelope of the negative log-marginal density, which in turn implies that the regularizer is 1-weakly convex. Using this property, we derive (to the best of our knowledge) the first sublinear convergence guarantee for PnP proximal gradient descent with an MMSE denoiser. We validate the theory with a one-dimensional synthetic study that recovers the implicit regularizer. We also validate the theory with imaging experiments (deblurring and computed tomography), which exhibit the predicted sublinear behavior.

Dynamical systems describe how a physical system evolves over time. Physical processes can evolve faster or slower in different environmental conditions. We use time-warping as rescaling the time in a model of a physical system. This thesis proposes a new method of transfer learning for Recurrent Neural Networks (RNNs) based on time-warping. We prove that for a class of linear, first-order differential equations known as time lag models, an LSTM can approximate these systems with any desired accuracy, and the model can be time-warped while maintaining the approximation accuracy. The Time-Warping method of transfer learning is then evaluated in an applied problem on predicting fuel moisture content (FMC), an important concept in wildfire modeling. An RNN with LSTM recurrent layers is pretrained on fuels with a characteristic time scale of 10 hours, where there are large quantities of data available for training. The RNN is then modified with transfer learning to generate predictions for fuels with characteristic time scales of 1 hour, 100 hours, and 1000 hours. The Time-Warping method is evaluated against several known methods of transfer learning. The Time-Warping method produces predictions with an accuracy level comparable to the established methods, despite modifying only a small fraction of the parameters that the other methods modify.

Reinforcement learning from human feedback (RLHF) has emerged as a central framework for aligning large language models (LLMs) with human preferences. Despite its practical success, RLHF raises fundamental statistical questions because it relies on noisy, subjective, and often heterogeneous feedback to learn reward models and optimize policies. This survey provides a statistical perspective on RLHF, focusing primarily on the LLM alignment setting. We introduce the main components of RLHF, including supervised fine-tuning, reward modeling, and policy optimization, and relate them to familiar statistical ideas such as Bradley-Terry-Luce (BTL) model, latent utility estimation, active learning, experimental design, and uncertainty quantification. We review methods for learning reward functions from pairwise preference data and for optimizing policies through both two-stage RLHF pipelines and emerging one-stage approaches such as direct preference optimization. We further discuss recent extensions including reinforcement learning from AI feedback, inference-time algorithms, and reinforcement learning from verifiable rewards, as well as benchmark datasets, evaluation protocols, and open-source frameworks that support RLHF research. We conclude by highlighting open challenges in RLHF. An accompanying GitHub demo https://github.com/Pangpang-Liu/RLHF_demo illustrates key components of the RLHF pipeline.

This paper develops a penalized GMM (PGMM) framework for automatic debiased inference on functionals of nonparametric instrumental variable estimators. We derive convergence rates for the PGMM estimator and provide conditions for root-n consistency and asymptotic normality of debiased functional estimates, covering both linear and nonlinear functionals. Monte Carlo experiments on average derivative show that the PGMM-based debiased estimator performs on par with the analytical debiased estimator that uses the known closed-form Riesz representer, achieving 90-96% coverage while the plug-in estimator falls below 5%. We apply our procedure to estimate mean own-price elasticities in a semiparametric demand model for differentiated products. Simulations confirm near-nominal coverage while the plug-in severely undercovers. Applied to IRI scanner data on carbonated beverages, debiased semiparametric estimates are approximately 20% more elastic compared to the logit benchmark, and debiasing corrections are heterogeneous across products, ranging from negligible to several times the standard error.

We study high-dimensional convex empirical risk minimization (ERM) under general non-Gaussian data designs. By heuristically extending the Convex Gaussian Min-Max Theorem (CGMT) to non-Gaussian settings, we derive an asymptotic min-max characterization of key statistics, enabling approximation of the mean $μ_{\hatθ}$ and covariance $C_{\hatθ}$ of the ERM estimator $\hatθ$. Specifically, under a concentration assumption on the data matrix and standard regularity conditions on the loss and regularizer, we show that for a test covariate $x$ independent of the training data, the projection $\hatθ^\top x$ approximately follows the convolution of the (generally non-Gaussian) distribution of $μ_{\hatθ}^\top x$ with an independent centered Gaussian variable of variance $\text{Tr}(C_{\hatθ}\mathbb{E}[xx^\top])$. This result clarifies the scope and limits of Gaussian universality for ERMs. Additionally, we prove that any $\mathcal{C}^2$ regularizer is asymptotically equivalent to a quadratic form determined solely by its Hessian at zero and gradient at $μ_{\hatθ}$. Numerical simulations across diverse losses and models are provided to validate our theoretical predictions and qualitative insights.

We study high-dimensional mediation analysis in which exposures, mediators, and outcomes are all multivariate, and both exposures and mediators may be high-dimensional. We formalize this as a many (exposures)-to-many (mediators)-to-many (outcomes) (MMM) mediation analysis problem. Methodologically, MMM mediation analysis simultaneously performs variable selection for high-dimensional exposures and mediators, estimates the indirect effect matrix (i.e., the coefficient matrices linking exposure-to-mediator and mediator-to-outcome pathways), and enables prediction of multivariate outcomes. Theoretically, we show that the estimated indirect effect matrices are consistent and element-wise asymptotically normal, and we derive error bounds for the estimators. To evaluate the efficacy of the MMM mediation framework, we first investigate its finite-sample performance, including convergence properties, the behavior of the asymptotic approximations, and robustness to noise, via simulation studies. We then apply MMM mediation analysis to data from the Alzheimer's Disease Neuroimaging Initiative to study how cortical thickness of 202 brain regions may mediate the effects of 688 genome-wide significant single nucleotide polymorphisms (SNPs) (selected from approximately 1.5 million SNPs) on eleven cognitive-behavioral and diagnostic outcomes. The MMM mediation framework identifies biologically interpretable, many-to-many-to-many genetic-neural-cognitive pathways and improves downstream out-of-sample classification and prediction performance. Taken together, our results demonstrate the potential of MMM mediation analysis and highlight the value of statistical methodology for investigating complex, high-dimensional multi-layer pathways in science. The MMM package is available at https://github.com/THELabTop/MMM-Mediation.