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Model Selection and Parameter Estimation of Multi-dimensional Gaussian Mixture Model

arXiv.org Machine Learning

In this paper, we study the problem of learning multi-dimensional Gaussian Mixture Models (GMMs), with a specific focus on model order selection and efficient mixing distribution estimation. We first establish an information-theoretic lower bound on the critical sample complexity required for reliable model selection. More specifically, we show that distinguishing a $k$-component mixture from a simpler model necessitates a sample size scaling of $Ω(Δ^{-(4k-4)})$. We then propose a thresholding-based estimation algorithm that evaluates the spectral gap of an empirical covariance matrix constructed from random Fourier measurement vectors. This parameter-free estimator operates with an efficient time complexity of $\mathcal{O}(k^2 n)$, scaling linearly with the sample size. We demonstrate that the sample complexity of our method matches the established lower bound, confirming its minimax optimality with respect to the component separation distance $Δ$. Conditioned on the estimated model order, we subsequently introduce a gradient-based minimization method for parameter estimation. To effectively navigate the non-convex objective landscape, we employ a data-driven, score-based initialization strategy that guarantees rapid convergence. We prove that this method achieves the optimal parametric convergence rate of $\mathcal{O}_p(n^{-1/2})$ for estimating the component means. To enhance the algorithm's efficiency in high-dimensional regimes where the ambient dimension exceeds the number of mixture components (i.e., \(d > k\)), we integrate principal component analysis (PCA) for dimension reduction. Numerical experiments demonstrate that our Fourier-based algorithmic framework outperforms conventional Expectation-Maximization (EM) methods in both estimation accuracy and computational time.


A Visualization for Comparative Analysis of Regression Models

arXiv.org Machine Learning

As regression is a widely studied problem, many methods have been proposed to solve it, each of them often requiring setting different hyper-parameters. Therefore, selecting the proper method for a given application may be very difficult and relies on comparing their performances. Performance is usually measured using various metrics such as Mean Absolute Error (MAE), Root Mean Squared Error (RMSE), or R-squared (R${}^2$). These metrics provide a numerical summary of predictive accuracy by quantifying the difference between predicted and actual values. However, while these metrics are widely used in the literature for summarizing model performance and useful to distinguish between models performing poorly and well, they often aggregate too much information. This article addresses these limitations by introducing a novel visualization approach that highlights key aspects of regression model performance. The proposed method builds upon three main contributions: (1) considering the residuals in a 2D space, which allows for simultaneous evaluation of errors from two models, (2) leveraging the Mahalanobis distance to account for correlations and differences in scale within the data, and (3) employing a colormap to visualize the percentile-based distribution of errors, making it easier to identify dense regions and outliers. By graphically representing the distribution of errors and their correlations, this approach provides a more detailed and comprehensive view of model performance, enabling users to uncover patterns that traditional aggregate metrics may obscure. The proposed visualization method facilitates a deeper understanding of regression model performance differences and error distributions, enhancing the evaluation and comparison process.


Heavy-Tailed and Long-Range Dependent Noise in Stochastic Approximation: A Finite-Time Analysis

arXiv.org Machine Learning

Stochastic approximation (SA) is a fundamental iterative framework with broad applications in reinforcement learning and optimization. Classical analyses typically rely on martingale difference or Markov noise with bounded second moments, but many practical settings, including finance and communications, frequently encounter heavy-tailed and long-range dependent (LRD) noise. In this work, we study SA for finding the root of a strongly monotone operator under these non-classical noise models. We establish the first finite-time moment bounds in both settings, providing explicit convergence rates that quantify the impact of heavy tails and temporal dependence. Our analysis employs a noise-averaging argument that regularizes the impact of noise without modifying the iteration. Finally, we apply our general framework to stochastic gradient descent (SGD) and gradient play, and corroborate our finite-time analysis through numerical experiments.


Explainable cluster analysis: a bagging approach

arXiv.org Machine Learning

A major limitation of clustering approaches is their lack of explainability: methods rarely provide insight into which features drive the grouping of similar observations. To address this limitation, we propose an ensemble-based clustering framework that integrates bagging and feature dropout to generate feature importance scores, in analogy with feature importance mechanisms in supervised random forests. By leveraging multiple bootstrap resampling schemes and aggregating the resulting partitions, the method improves stability and robustness of the cluster definition, particularly in small-sample or noisy settings. Feature importance is assessed through an information-theoretic approach: at each step, the mutual information between each feature and the estimated cluster labels is computed and weighted by a measure of clustering validity to emphasize well-formed partitions, before being aggregated into a final score. The method outputs both a consensus partition and a corresponding measure of feature importance, enabling a unified interpretation of clustering structure and variable relevance. Its effectiveness is demonstrated on multiple simulated and real-world datasets.


Beyond Single Tokens: Distilling Discrete Diffusion Models via Discrete MMD

arXiv.org Machine Learning

It is currently difficult to distill discrete diffusion models. In contrast, continuous diffusion literature has many distillation approaches methods that can reduce sampling steps to a handful. Our method, Discrete Moment Matching Distillation (D-MMD), leverages ideas that have been highly successful in the continuous domain. Whereas previous discrete distillation methods collapse, D-MMD maintains high quality and diversity (given sufficient sampling steps). This is demonstrated on both text and image datasets. Moreover, the newly distilled generators can outperform their teachers.


Uncertainty Quantification Via the Posterior Predictive Variance

arXiv.org Machine Learning

Abstract: We use the law of total variance to generate multiple expansions for the posterior predictive variance. These expansions are sums of terms involving conditional expectations and conditional variances and provide a quantification of the sources of predictive uncertainty. Since the posterior predictive variance is fixed given the model, it represents a constant quantity that is conserved over these expansions. The terms in the expansions can be assessed in absolute or relative sense to understand the main contributors to the length of prediction intervals. We quantify the term-wise uncertainty across expansions varying in the number of terms and the order of conditionates. In particular, given that a specific term in one expansion is small or zero, we identify the other terms in other expansions that must also be small or zero. We illustrate this approach to predictive model assessment in several well-known models. The Setting and Intuition Everyone uses prediction intervals (PI's) but few examine their structure or more precisely how they should be interpreted in the context of a model with multiple components. Often PI's seem overconfident (too narrow) or useless (too wide). Both frequentist and Bayesian practitioners routinely report PI's.


Scalable Learning of Multivariate Distributions via Coresets

arXiv.org Machine Learning

Efficient and scalable non-parametric or semi-parametric regression analysis and density estimation are of crucial importance to the fields of statistics and machine learning. However, available methods are limited in their ability to handle large-scale data. We address this issue by developing a novel coreset construction for multivariate conditional transformation models (MCTMs) to enhance their scalability and training efficiency. To the best of our knowledge, these are the first coresets for semi-parametric distributional models. Our approach yields substantial data reduction via importance sampling. It ensures with high probability that the log-likelihood remains within multiplicative error bounds of $(1\pm\varepsilon)$ and thereby maintains statistical model accuracy. Compared to conventional full-parametric models, where coresets have been incorporated before, our semi-parametric approach exhibits enhanced adaptability, particularly in scenarios where complex distributions and non-linear relationships are present, but not fully understood. To address numerical problems associated with normalizing logarithmic terms, we follow a geometric approximation based on the convex hull of input data. This ensures feasible, stable, and accurate inference in scenarios involving large amounts of data. Numerical experiments demonstrate substantially improved computational efficiency when handling large and complex datasets, thus laying the foundation for a broad range of applications within the statistics and machine learning communities.


Learnability with Partial Labels and Adaptive Nearest Neighbors

arXiv.org Machine Learning

Prior work on partial labels learning (PLL) has shown that learning is possible even when each instance is associated with a bag of labels, rather than a single accurate but costly label. However, the necessary conditions for learning with partial labels remain unclear, and existing PLL methods are effective only in specific scenarios. In this work, we mathematically characterize the settings in which PLL is feasible. In addition, we present PL A-$k$NN, an adaptive nearest-neighbors algorithm for PLL that is effective in general scenarios and enjoys strong performance guarantees. Experimental results corroborate that PL A-$k$NN can outperform state-of-the-art methods in general PLL scenarios.


The monotonicity of the Franz-Parisi potential is equivalent with Low-degree MMSE lower bounds

arXiv.org Machine Learning

Over the last decades, two distinct approaches have been instrumental to our understanding of the computational complexity of statistical estimation. The statistical physics literature predicts algorithmic hardness through local stability and monotonicity properties of the Franz--Parisi (FP) potential \cite{franz1995recipes,franz1997phase}, while the mathematically rigorous literature characterizes hardness via the limitations of restricted algorithmic classes, most notably low-degree polynomial estimators \cite{hopkins2017efficient}. For many inference models, these two perspectives yield strikingly consistent predictions, giving rise to a long-standing open problem of establishing a precise mathematical relationship between them. In this work, we show that for estimation problems the power of low-degree polynomials is equivalent to the monotonicity of the annealed FP potential for a broad family of Gaussian additive models (GAMs) with signal-to-noise ratio $λ$. In particular, subject to a low-degree conjecture for GAMs, our results imply that the polynomial-time limits of these models are directly implied by the monotonicity of the annealed FP potential, in conceptual agreement with predictions from the physics literature dating back to the 1990s.


A two-step sequential approach for hyperparameter selection in finite context models

arXiv.org Machine Learning

Finite-context models (FCMs) are widely used for compressing symbolic sequences such as DNA, where predictive performance depends critically on the context length k and smoothing parameter α. In practice, these hyperparameters are typically selected through exhaustive search, which is computationally expensive and scales poorly with model complexity. This paper proposes a statistically grounded two-step sequential approach for efficient hyperparameter selection in FCMs. The key idea is to decompose the joint optimization problem into two independent stages. First, the context length k is estimated using categorical serial dependence measures, including Cramér's ν, Cohen's \k{appa} and partial mutual information (pami). Second, the smoothing parameter α is estimated via maximum likelihood conditional on the selected context length k. Simulation experiments were conducted on synthetic symbolic sequences generated by FCMs across multiple (k, α) configurations, considering a four-letter alphabet and different sample sizes. Results show that the dependence measures are substantially more sensitive to variations in k than in α, supporting the sequential estimation strategy. As expected, the accuracy of the hyperparameter estimation improves with increasing sample size. Furthermore, the proposed method achieves compression performance comparable to exhaustive grid search in terms of average bitrate (bits per symbol), while substantially reducing computational cost. Overall, the results on simulated data show that the proposed sequential approach is a practical and computationally efficient alternative to exhaustive hyperparameter tuning in FCMs.