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 Statistical Learning


A Unified Framework for Structure-Aware Clustering and Heterogeneous Causal Graph Learning

arXiv.org Machine Learning

In complex multivariate systems, interactions among variables are defined by dependency structures, often encoded as directed acyclic graphs ($\text{DAGs}$). However, dependency structures can vary across subjects, and ignoring this structural heterogeneity introduces bias and obscures subpopulation-specific dependencies. To address this, we propose Directed Acyclic Graph-based Dependency Clustering via Alternating Direction Method of Multipliers (DAG-DC-ADMM), a unified framework built upon Structural Equation Modeling (SEM) that jointly learns cluster assignments and cluster-specific dependency structures. We encode acyclicity via a smooth constraint and integrate a groupwise truncated Lasso fusion penalty (gTLP) to cluster subjects based on their structural similarity. This yields a nonconvex optimization problem that incorporates sparsity, acyclicity, and structural consensus constraints. We address the nonconvexity by using the augmented Lagrangian method and solve it with an adapted version of the Alternating Direction Method of Multipliers (ADMM) for difference-of-convex programs. For certain graph structures, such as upper triangular adjacency matrices, our algorithm is guaranteed to converge to a Karush-Kuhn-Tucker (KKT) point. Experiments demonstrate that our method recovers cluster-specific causal dependency structures with a high true positive rate and a low false discovery rate. This capability enables the robust discovery of heterogeneous dependencies across subjects where the subpopulation label is unknown.


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.


Increasing Missingness to Reduce Bias: Richardson-SGD with Missing Data

arXiv.org Machine Learning

Stochastic gradient methods are central to modern large-scale learning, but their use with incomplete covariates remains delicate since imputation schemes generally introduce systematic gradient biases, as shown for linear models. In this work, we prove that all parametric models exhibit similar gradient bias for various imputation procedures and characterize exactly the dependence on the missingness ratio vector $p$, with $O(\|p\|)$ as the leading term. We exploit this analysis to propose a simple debiasing procedure for stochastic gradient descent (SGD) with missing values based on Richardson extrapolation, which leverages the exact expression of the gradient bias. The key idea is to \emph{deliberately add missingness}: from an already incomplete observation, we generate a further-thinned version at a higher, controlled missingness level, and combine the two resulting stochastic gradients to cancel the leading bias term. We prove that one Richardson step reduces the gradient bias from $O(\|p\|)$ to $O(\|p\|^2)$ under several missingness scenarios. Our proposed method is computationally efficient, model-agnostic and applies to any parametric loss whose stochastic gradient can be computed after imputation. Furthermore, when missing indicators are independent, the population gradient bias is a multilinear polynomial in $p$ and depends only on population gradient errors induced by declaring a single coordinate missing. In this case, our method generalizes to a multi-step Richardson procedure which recursively cancels higher-order terms. Empirically, Richardson debiasing improves optimization and estimation across several generalized linear models and combines positively with widely used imputation procedures such as MICE. These results suggest that, somewhat counter-intuitively, adding controlled missingness on top of existing missing data can make stochastic learning from incomplete data more accurate.


Fast Spawn\&Prune (FS\&P): Global convergence of stochastic conic particle gradient descent via birth/death process

arXiv.org Machine Learning

We investigate the global optimization of the objective function arising in continuous sparse regression, specifically the Beurling LASSO (BLASSO), over the space of measures. While Conic Particle Gradient Descent (CPGD) methods are computationally efficient, they may become trapped in local minima due to the non-convexity of the parameterization. To overcome this limitation, we introduce Fast Spawn\&Prune (FS\&P), a stochastic algorithm that extends FastPart introduced in De Castro et al. (2025) and combines CPGD with a birth-death process. The birth mechanism ensures asymptotic global exploration by introducing particles in regions where first-order optimality conditions are violated, while the death process preserves computational efficiency by pruning non-informative particles. We provide the first theoretical guarantee of global convergence for this class of discrete-time stochastic algorithms, without requiring exponentially large initializations. Furthermore, we derive explicit convergence rates for the excess risk, which scale as $\mathcal{O}\big(\left(\log K / K\right)^{\frac{1}{2(2+d)}}\big)$, where $K$ denotes the number of iterations and d the dimension of the domain, thereby quantifying the trade-off between global exploration and local refinement. Moreover, the sample complexity is $\mathcal{O}\big(N^{-\frac{1}{4(2+d)}}\big)$ (up to logarithmic factors). We also propose a horizon-free variant that does not require prior knowledge of the iteration budget.


FLUXtrapolation: A benchmark on extrapolating ecosystem fluxes

arXiv.org Machine Learning

We introduce FLUXtrapolation, a benchmark for extrapolating ecosystem fluxes under progressively harder distribution shifts. Ecosystem fluxes are central to understanding the carbon, water, and energy cycles, yet they can only be measured directly at sparsely located measurement towers. Producing global flux estimates therefore requires training models on observed sites using globally available covariates and predicting in unobserved regions, that is, upscaling. Flux upscaling is a challenging domain generalization problem that is affected by a shift in covariate distribution across climates, ecosystem types, and environmental conditions, as well as by conditional shift: important drivers remain unobserved at global scale. We provide a quantitative analysis of both these shifts in $P_X$ and $P_{Y\mid X}$. FLUXtrapolation is designed based on domain expertise on flux upscaling: it defines temporal, spatial, and temperature-based extrapolation scenarios and evaluates performance across held-out domains, temporal aggregations, and tail errors. In a pilot study, we find that baselines perform similarly under median hourly RMSE, but separate under the proposed tail-focused and multi-scale evaluation. FLUXtrapolation therefore poses a realistic and thus relevant challenge for machine learning methods under distribution shift; at the same time, progress on this benchmark would directly support the scientific goal of improving flux upscaling.


Understanding Self-Supervised Learning via Latent Distribution Matching

arXiv.org Machine Learning

Self-supervised learning (SSL) excels at finding general-purpose latent representations from complex data, yet lacks a unifying theoretical framework that explains the diverse existing methods and guides the design of new ones. We cast SSL as latent distribution matching (LDM): learning representations that maximize their log-probability under an assumed latent model (alignment), while maximizing latent entropy to prevent collapse (uniformity). This view unifies independent component analysis with contrastive, non-contrastive, and predictive SSL methods, including stop gradient approaches. Leveraging LDM, we derive a nonlinear, sampling-free Bayesian filtering model with a Kalman-based predictor for high-dimensional timeseries. We further prove that predictive LDM yields identifiable latent representations under mild assumptions, even with nonlinear predictors. Overall, LDM clarifies the assumptions behind established SSL methods and provides principled guidance for developing new approaches.


TailedTS: Benchmark Dataset for Heavy-Tailed Time Series Prediction and Periodicity Quantification

arXiv.org Machine Learning

We present TailedTS, a large-scale benchmark dataset derived from Wikipedia hourly page view observations throughout 2024, specifically designed to test time series forecasting models under heavy-tailed, zero-inflated, and non-Gaussian conditions. The dataset comprises approximately 24.69 billion data points spanning roughly 3 million unique Wikipedia pages per month, stored in high-efficiency Apache Parquet format. Wikipedia traffic follows a pronounced power-law distribution where roughly 5% of pages account for over 70% of total page views, creating a natural and rigorous testbed for model robustness against extreme volatility that are absent from or underrepresented in existing benchmarks such as M4, M5, and UCI electricity datasets. TailedTS enables several research tasks. First, we introduce a periodicity quantification framework based on sparse autoregression with sparsity and non-negativity constraints, revealing that frequently-viewed pages exhibit significantly weaker periodic structure than their less-viewed counterparts, showing direct implications for server allocation and traffic forecasting on large digital platforms. Second, we provide standardized prediction benchmarks evaluated under a suite of non-Gaussian loss functions, including $\ell_1$-norm, Huber, quantile, and $\ell_p$-norm losses, demonstrating that standard Gaussian-based estimators degrade substantially on high-volume page categories, while robust alternatives provide consistent gains across all traffic scales. TailedTS is publicly available at https://doi.org/10.5281/zenodo.17070469.


Inducing Spatial Locality in Vision Transformers through the Training Protocol

arXiv.org Machine Learning

We investigate whether the training protocol can induce spatial locality in the early layers of a Vision Transformer (ViT) trained from scratch, without large-scale pretraining. Keeping the architecture and optimization procedure fixed, we compare a Baseline protocol with a Modern protocol (AutoAugment/ColorJitter, CutMix, and Label Smoothing) on CIFAR-10, CIFAR-100, and Tiny-ImageNet, characterizing each attention head via Mean Attention Distance (MAD) and normalized entropy. Across all three datasets, the Modern protocol produces more local and more concentrated attention in early layers; on CIFAR-100, the minimum MAD drops from 0.316 (Baseline) to 0.008 (Modern). To identify the source of this effect, we conduct an ablation study on CIFAR-100 by adding or removing each component individually. The results identify CutMix as the determining component within our experiments: all conditions with CutMix exhibit MAD 0.024, while all conditions without CutMix remain at MAD 0.210. AutoAugment and Label Smoothing show no independent effect on locality. Taken together, these findings suggest that the pressure to classify from partial image regions, induced by CutMix, can promote the emergence of local attention in Vision Transformers.


Dimension-Uniform Discretization Analysis of Preconditioned Annealed Langevin Dynamics for Multimodal Gaussian Mixtures

arXiv.org Machine Learning

Obtaining stable diffusion-based samplers in high- and infinite-dimensional settings is challenging because errors can accumulate across high-frequency coordinates and make the dynamics unstable under refinement of the finite-dimensional approximation of the underlying function-space problem. Discretization is a typical source of such errors, and preconditioning with a suitable spectral decay is one way to control their accumulation. In this paper, we study this problem for preconditioned annealed Langevin dynamics (ALD) applied to Gaussian mixtures. We first show that Euler-Maruyama (EM) discretization, by treating the stiff linear part of the annealed score with a forward Euler step, imposes a stability constraint coupling the preconditioner with the annealed covariance scale. Together with the conditions ensuring dimension-uniform control of the annealed dynamics, this constraint forces the initial smoothed law to remain uniformly close to the target across dimensions. We then consider an exponential-integrator scheme that integrates the stiff linear part of the annealed score exactly. Under explicit spectral summability conditions coupling the smoothing covariance, the component covariance spectra, and the preconditioner, we prove a dimension-uniform Kullback-Leibler (KL) bound for this scheme. This bound can be made arbitrarily small, uniformly in dimension, by allowing enough time for annealing and then refining the time mesh accordingly. Importantly, these conditions allow regimes in which the KL divergence between the target and the initial smoothed law diverges with dimension, showing that the restrictions imposed by EM are scheme-dependent rather than intrinsic to ALD.


StAD: Stein Amortized Divergence for Fast Likelihoods with Diffusion and Flow

arXiv.org Machine Learning

Diffusion and flow-based models are ubiquitously used for generative modelling and density estimation. They admit a deterministic probability flow ordinary differential equation (PF-ODE), analogous to continuous normalizing flows (CNFs), which describes the transport of the probability mass. Obtaining the likelihood from these models is of interest to many workflows, especially Bayesian analysis, and requires solving the trace of the Jacobian to compute the divergence of the learned PF-ODE, which is either $\mathcal{O}(D^2)$ to compute exactly or $\mathcal{O}(D)$ with a noisy estimate. We introduce StAD, a new distillation method to predict and learn the divergence of the PF-ODE using the Langevin-Stein operator without ever computing the Jacobian. We show that our method is competitive with the Hutchinson and Hutch++ on CIFAR-10, ImageNet and other density estimation tasks, consistently improving the variance and speed of the likelihood predictions compared to the Hutchinson. We additionally show our method will generalize to a varied class of generative models, and show that under some regularity conditions these learned vector fields can be made to satisfy the Stein class.