Statistical Learning
LoBoost: Fast Model-Native Local Conformal Prediction for Gradient-Boosted Trees
Santos, Vagner, Coscrato, Victor, Cabezas, Luben, Izbicki, Rafael, Ramos, Thiago
Gradient-boosted decision trees are among the strongest off-the-shelf predictors for tabular regression, but point predictions alone do not quantify uncertainty. Conformal prediction provides distribution-free marginal coverage, yet split conformal uses a single global residual quantile and can be poorly adaptive under heteroscedasticity. Methods that improve adaptivity typically fit auxiliary nuisance models or introduce additional data splits/partitions to learn the conformal score, increasing cost and reducing data efficiency. We propose LoBoost, a model-native local conformal method that reuses the fitted ensemble's leaf structure to define multiscale calibration groups. Each input is encoded by its sequence of visited leaves; at resolution level k, we group points by matching prefixes of leaf indices across the first k trees and calibrate residual quantiles within each group. LoBoost requires no retraining, auxiliary models, or extra splitting beyond the standard train/calibration split. Experiments show competitive interval quality, improved test MSE on most datasets, and large calibration speedups.
Low-degree Lower bounds for clustering in moderate dimension
Carpentier, Alexandra, Verzelen, Nicolas
We study the fundamental problem of clustering $n$ points into $K$ groups drawn from a mixture of isotropic Gaussians in $\mathbb{R}^d$. Specifically, we investigate the requisite minimal distance $Δ$ between mean vectors to partially recover the underlying partition. While the minimax-optimal threshold for $Δ$ is well-established, a significant gap exists between this information-theoretic limit and the performance of known polynomial-time procedures. Although this gap was recently characterized in the high-dimensional regime ($n \leq dK$), it remains largely unexplored in the moderate-dimensional regime ($n \geq dK$). In this manuscript, we address this regime by establishing a new low-degree polynomial lower bound for the moderate-dimensional case when $d \geq K$. We show that while the difficulty of clustering for $n \leq dK$ is primarily driven by dimension reduction and spectral methods, the moderate-dimensional regime involves more delicate phenomena leading to a "non-parametric rate". We provide a novel non-spectral algorithm matching this rate, shedding new light on the computational limits of the clustering problem in moderate dimension.
Regular Fourier Features for Nonstationary Gaussian Processes
Jawaid, Arsalan, Karatas, Abdullah, Seewig, Jörg
Simulating a Gaussian process requires sampling from a high-dimensional Gaussian distribution, which scales cubically with the number of sample locations. Spectral methods address this challenge by exploiting the Fourier representation, treating the spectral density as a probability distribution for Monte Carlo approximation. Although this probabilistic interpretation works for stationary processes, it is overly restrictive for the nonstationary case, where spectral densities are generally not probability measures. We propose regular Fourier features for harmonizable processes that avoid this limitation. Our method discretizes the spectral representation directly, preserving the correlation structure among spectral weights without requiring probability assumptions. Under a finite spectral support assumption, this yields an efficient low-rank approximation that is positive semi-definite by construction. When the spectral density is unknown, the framework extends naturally to kernel learning from data. We demonstrate the method on locally stationary kernels and on harmonizable mixture kernels with complex-valued spectral densities.
An Enhanced Projection Pursuit Tree Classifier with Visual Methods for Assessing Algorithmic Improvements
da Silva, Natalia, Cook, Dianne, Lee, Eun-Kyung
This paper presents enhancements to the projection pursuit tree classifier and visual diagnostic methods for assessing their impact in high dimensions. The original algorithm uses linear combinations of variables in a tree structure where depth is constrained to be less than the number of classes -- a limitation that proves too rigid for complex classification problems. Our extensions improve performance in multi-class settings with unequal variance-covariance structures and nonlinear class separations by allowing more splits and more flexible class groupings in the projection pursuit computation. Proposing algorithmic improvements is straightforward; demonstrating their actual utility is not. We therefore develop two visual diagnostic approaches to verify that the enhancements perform as intended. Using high-dimensional visualization techniques, we examine model fits on benchmark datasets to assess whether the algorithm behaves as theorized. An interactive web application enables users to explore the behavior of both the original and enhanced classifiers under controlled scenarios. The enhancements are implemented in the R package PPtreeExt.
Maximum entropy based testing in network models: ERGMs and constrained optimization
Ghosh, Subhrosekhar, Karmakar, Rathindra Nath, Lahiry, Samriddha
Stochastic network models play a central role across a wide range of scientific disciplines, and questions of statistical inference arise naturally in this context. In this paper we investigate goodness-of-fit and two-sample testing procedures for statistical networks based on the principle of maximum entropy (MaxEnt). Our approach formulates a constrained entropy-maximization problem on the space of networks, subject to prescribed structural constraints. The resulting test statistics are defined through the Lagrange multipliers associated with the constrained optimization problem, which, to our knowledge, is novel in the statistical networks literature. We establish consistency in the classical regime where the number of vertices is fixed. We then consider asymptotic regimes in which the graph size grows with the sample size, developing tests for both dense and sparse settings. In the dense case, we analyze exponential random graph models (ERGM) (including the Erdös-Rènyi models), while in the sparse regime our theory applies to Erd{ö}s-R{è}nyi graphs. Our analysis leverages recent advances in nonlinear large deviation theory for random graphs. We further show that the proposed Lagrange-multiplier framework connects naturally to classical score tests for constrained maximum likelihood estimation. The results provide a unified entropy-based framework for network model assessment across diverse growth regimes.
Stability and Generalization of Push-Sum Based Decentralized Optimization over Directed Graphs
Liang, Yifei, Sun, Yan, Cao, Xiaochun, Shen, Li
Push-Sum-based decentralized learning enables optimization over directed communication networks, where information exchange may be asymmetric. While convergence properties of such methods are well understood, their finite-iteration stability and generalization behavior remain unclear due to structural bias induced by column-stochastic mixing and asymmetric error propagation. In this work, we develop a unified uniform-stability framework for the Stochastic Gradient Push (SGP) algorithm that captures the effect of directed topology. A key technical ingredient is an imbalance-aware consistency bound for Push-Sum, which controls consensus deviation through two quantities: the stationary distribution imbalance parameter $δ$ and the spectral gap $(1-λ)$ governing mixing speed. This decomposition enables us to disentangle statistical effects from topology-induced bias. We establish finite-iteration stability and optimization guarantees for both convex objectives and non-convex objectives satisfying the Polyak--Łojasiewicz condition. For convex problems, SGP attains excess generalization error of order $\tilde{\mathcal{O}}\!\left(\frac{1}{\sqrt{mn}}+\fracγ{δ(1-λ)}+γ\right)$ under step-size schedules, and we characterize the corresponding optimal early stopping time that minimizes this bound. For PŁ objectives, we obtain convex-like optimization and generalization rates with dominant dependence proportional to $κ\!\left(1+\frac{1}{δ(1-λ)}\right)$, revealing a multiplicative coupling between problem conditioning and directed communication topology. Our analysis clarifies when Push-Sum correction is necessary compared with standard decentralized SGD and quantifies how imbalance and mixing jointly shape the best attainable learning performance.
Variational Inference for Bayesian MIDAS Regression
We develop a Coordinate Ascent Variational Inference (CAVI) algorithm for Bayesian Mixed Data Sampling (MIDAS) regression with linear weight parameterizations. The model separates impact coeffcients from weighting function parameters through a normalization constraint, creating a bilinear structure that renders generic Hamiltonian Monte Carlo samplers unreliable while preserving conditional conjugacy exploitable by CAVI. Each variational update admits a closed-form solution: Gaussian for regression coefficients and weight parameters, Inverse-Gamma for the error variance. The algorithm propagates uncertainty across blocks through second moments, distinguishing it from naive plug-in approximations. In a Monte Carlo study spanning 21 data-generating configurations with up to 50 predictors, CAVI produces posterior means nearly identical to a block Gibbs sampler benchmark while achieving speedups of 107x to 1,772x (Table 9). Generic automatic differentiation VI (ADVI), by contrast, produces bias 714 times larger while being orders of magnitude slower, confirming the value of model-specific derivations. Weight function parameters maintain excellent calibration (coverage above 92%) across all configurations. Impact coefficient credible intervals exhibit the underdispersion characteristic of mean-field approximations, with coverage declining from 89% to 55% as the number of predictors grows a documented trade-off between speed and interval calibration that structured variational methods can address. An empirical application to realized volatility forecasting on S&P 500 daily returns cofirms that CAVI and Gibbs sampling yield virtually identical point forecasts, with CAVI completing each monthly estimation in under 10 milliseconds.
Dirichlet Scale Mixture Priors for Bayesian Neural Networks
Arnstad, August, Rønneberg, Leiv, Storvik, Geir
Neural networks are the cornerstone of modern machine learning, yet can be difficult to interpret, give overconfident predictions and are vulnerable to adversarial attacks. Bayesian neural networks (BNNs) provide some alleviation of these limitations, but have problems of their own. The key step of specifying prior distributions in BNNs is no trivial task, yet is often skipped out of convenience. In this work, we propose a new class of prior distributions for BNNs, the Dirichlet scale mixture (DSM) prior, that addresses current limitations in Bayesian neural networks through structured, sparsity-inducing shrinkage. Theoretically, we derive general dependence structures and shrinkage results for DSM priors and show how they manifest under the geometry induced by neural networks. In experiments on simulated and real world data we find that the DSM priors encourages sparse networks through implicit feature selection, show robustness under adversarial attacks and deliver competitive predictive performance with substantially fewer effective parameters. In particular, their advantages appear most pronounced in correlated, moderately small data regimes, and are more amenable to weight pruning. Moreover, by adopting heavy-tailed shrinkage mechanisms, our approach aligns with recent findings that such priors can mitigate the cold posterior effect, offering a principled alternative to the commonly used Gaussian priors.
JUCAL: Jointly Calibrating Aleatoric and Epistemic Uncertainty in Classification Tasks
Heiss, Jakob, Lambrecht, Sören, Weissteiner, Jakob, Wutte, Hanna, Žurič, Žan, Teichmann, Josef, Yu, Bin
We study post-calibration uncertainty for trained ensembles of classifiers. Specifically, we consider both aleatoric (label noise) and epistemic (model) uncertainty. Among the most popular and widely used calibration methods in classification are temperature scaling (i.e., pool-then-calibrate) and conformal methods. However, the main shortcoming of these calibration methods is that they do not balance the proportion of aleatoric and epistemic uncertainty. Not balancing these uncertainties can severely misrepresent predictive uncertainty, leading to overconfident predictions in some input regions while being underconfident in others. To address this shortcoming, we present a simple but powerful calibration algorithm Joint Uncertainty Calibration (JUCAL) that jointly calibrates aleatoric and epistemic uncertainty. JUCAL jointly calibrates two constants to weight and scale epistemic and aleatoric uncertainties by optimizing the negative log-likelihood (NLL) on the validation/calibration dataset. JUCAL can be applied to any trained ensemble of classifiers (e.g., transformers, CNNs, or tree-based methods), with minimal computational overhead, without requiring access to the models' internal parameters. We experimentally evaluate JUCAL on various text classification tasks, for ensembles of varying sizes and with different ensembling strategies. Our experiments show that JUCAL significantly outperforms SOTA calibration methods across all considered classification tasks, reducing NLL and predictive set size by up to 15% and 20%, respectively. Interestingly, even applying JUCAL to an ensemble of size 5 can outperform temperature-scaled ensembles of size up to 50 in terms of NLL and predictive set size, resulting in up to 10 times smaller inference costs. Thus, we propose JUCAL as a new go-to method for calibrating ensembles in classification.
Distillation and Interpretability of Ensemble Forecasts of ENSO Phase using Entropic Learning
Groom, Michael, Bassetti, Davide, Horenko, Illia, O'Kane, Terence J.
This paper introduces a distillation framework for an ensemble of entropy-optimal Sparse Probabilistic Approximation (eSPA) models, trained exclusively on satellite-era observational and reanalysis data to predict ENSO phase up to 24 months in advance. While eSPA ensembles yield state-of-the-art forecast skill, they are harder to interpret than individual eSPA models. We show how to compress the ensemble into a compact set of "distilled" models by aggregating the structure of only those ensemble members that make correct predictions. This process yields a single, diagnostically tractable model for each forecast lead time that preserves forecast performance while also enabling diagnostics that are impractical to implement on the full ensemble. An analysis of the regime persistence of the distilled model "superclusters", as well as cross-lead clustering consistency, shows that the discretised system accurately captures the spatiotemporal dynamics of ENSO. By considering the effective dimension of the feature importance vectors, the complexity of the input space required for correct ENSO phase prediction is shown to peak when forecasts must cross the boreal spring predictability barrier. Spatial importance maps derived from the feature importance vectors are introduced to identify where predictive information resides in each field and are shown to include known physical precursors at certain lead times. Case studies of key events are also presented, showing how fields reconstructed from distilled model centroids trace the evolution from extratropical and inter-basin precursors to the mature ENSO state. Overall, the distillation framework enables a rigorous investigation of long-range ENSO predictability that complements real-time data-driven operational forecasts.