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Fast estimation of Gaussian mixture components via centering and singular value thresholding

Qing, Huan

arXiv.org Machine Learning

Estimating the number of components is a fundamental challenge in unsupervised learning, particularly when dealing with high-dimensional data with many components or severely imbalanced component sizes. This paper addresses this challenge for classical Gaussian mixture models. The proposed estimator is simple: center the data, compute the singular values of the centered matrix, and count those above a threshold. No iterative fitting, no likelihood calculation, and no prior knowledge of the number of components are required. We prove that, under a mild separation condition on the component centers, the estimator consistently recovers the true number of components. The result holds in high-dimensional settings where the dimension can be much larger than the sample size. It also holds when the number of components grows to the smaller of the dimension and the sample size, even under severe imbalance among component sizes. Computationally, the method is extremely fast: for example, it processes ten million samples in one hundred dimensions within one minute. Extensive experimental studies confirm its accuracy in challenging settings such as high dimensionality, many components, and severe class imbalance.


Conformal Risk Control under Non-Monotone Losses: Theory and Finite-Sample Guarantees

Aldirawi, Tareq, Li, Yun, Guo, Wenge

arXiv.org Machine Learning

Conformal risk control (CRC) provides distribution-free guarantees for controlling the expected loss at a user-specified level. Existing theory typically assumes that the loss decreases monotonically with a tuning parameter that governs the size of the prediction set. However, this assumption is often violated in practice, where losses may behave non-monotonically due to competing objectives such as coverage and efficiency. In this paper, we study CRC under non-monotone loss functions when the tuning parameter is selected from a finite grid, a setting commonly arising in thresholding and discretized decision rules. Revisiting a known counterexample, we show that the validity of CRC without monotonicity depends critically on the relationship between the calibration sample size and the grid resolution. In particular, reliable risk control can still be achieved when the calibration sample is sufficiently large relative to the grid size. We establish a finite-sample guarantee for bounded losses over a grid of size $m$, showing that the excess risk above the target level $α$ scales on the order of $\sqrt{\log(m)/n}$, where $n$ is the calibration sample size. A matching lower bound demonstrates that this rate is minimax optimal. We also derive refined guarantees under additional structural conditions, including Lipschitz continuity and monotonicity, and extend the analysis to settings with distribution shift via importance weighting. Numerical experiments on synthetic multilabel classification and real object detection data illustrate the practical implications of non-monotonicity. Methods that explicitly account for finite-sample uncertainty achieve more stable risk control than approaches based on monotonicity transformations, while maintaining competitive prediction set sizes.


Improving Machine Learning Performance with Synthetic Augmentation

Sohm, Mel, Dezons, Charles, Sellami, Sami, Ninou, Oscar, Pincon, Axel

arXiv.org Machine Learning

Synthetic augmentation is increasingly used to mitigate data scarcity in financial machine learning, yet its statistical role remains poorly understood. We formalize synthetic augmentation as a modification of the effective training distribution and show that it induces a structural bias--variance trade-off: while additional samples may reduce estimation error, they may also shift the population objective whenever the synthetic distribution deviates from regions relevant under evaluation. To isolate informational gains from mechanical sample-size effects, we introduce a size-matched null augmentation and a finite-sample, non-parametric block permutation test that remains valid under weak temporal dependence. We evaluate this framework in both controlled Markov-switching environments and real financial datasets, including high-frequency option trade data and a daily equity panel. Across generators spanning bootstrap, copula-based models, variational autoencoders, diffusion models, and TimeGAN, we vary augmentation ratio, model capacity, task type, regime rarity, and signal-to-noise. We show that synthetic augmentation is beneficial only in variance-dominant regimes, such as persistent volatility forecasting-while it deteriorates performance in bias-dominant settings, including near-efficient directional prediction. Rare-regime targeting can improve domain-specific metrics but may conflict with unconditional permutation inference. Our results provide a structural perspective on when synthetic data improves financial learning performance and when it induces persistent distributional distortion.


Generative Augmented Inference

Lu, Cheng, Wang, Mengxin, Zhang, Dennis J., Zhang, Heng

arXiv.org Machine Learning

Data-driven operations management often relies on parameters estimated from costly human-generated labels. Recent advances in large language models (LLMs) and other AI systems offer inexpensive auxiliary data, but introduce a new challenge: AI outputs are not direct observations of the target outcomes, but could involve high-dimensional representations with complex and unknown relationships to human labels. Conventional methods leverage AI predictions as direct proxies for true labels, which can be inefficient or unreliable when this relationship is weak or misspecified. We propose Generative Augmented Inference (GAI), a general framework that incorporates AI-generated outputs as informative features for estimating models of human-labeled outcomes. GAI uses an orthogonal moment construction that enables consistent estimation and valid inference with flexible, nonparametric relationship between LLM-generated outputs and human labels. We establish asymptotic normality and show a "safe default" property: relative to human-data-only estimators, GAI weakly improves estimation efficiency under arbitrary auxiliary signals and yields strict gains whenever the auxiliary information is predictive. Empirically, GAI outperforms benchmarks across diverse settings. In conjoint analysis with weak auxiliary signals, GAI reduces estimation error by about 50% and lowers human labeling requirements by over 75%. In retail pricing, where all methods access the same auxiliary inputs, GAI consistently outperforms alternative estimators, highlighting the value of its construction rather than differences in information. In health insurance choice, it cuts labeling requirements by over 90% while maintaining decision accuracy. Across applications, GAI improves confidence interval coverage without inflating width. Overall, GAI provides a principled and scalable approach to integrating AI-generated information.


Unified Precision-Guaranteed Stopping Rules for Contextual Learning

Ding, Mingrui, Zhao, Qiuhong, Gao, Siyang, Dong, Jing

arXiv.org Machine Learning

Contextual learning seeks to learn a decision policy that maps an individual's characteristics to an action through data collection. In operations management, such data may come from various sources, and a central question is when data collection can stop while still guaranteeing that the learned policy is sufficiently accurate. We study this question under two precision criteria: a context-wise criterion and an aggregate policy-value criterion. We develop unified stopping rules for contextual learning with unknown sampling variances in both unstructured and structured linear settings. Our approach is based on generalized likelihood ratio (GLR) statistics for pairwise action comparisons. To calibrate the corresponding sequential boundaries, we derive new time-uniform deviation inequalities that directly control the self-normalized GLR evidence and thus avoid the conservativeness caused by decoupling mean and variance uncertainty. Under the Gaussian sampling model, we establish finite-sample precision guarantees for both criteria. Numerical experiments on synthetic instances and two case studies demonstrate that the proposed stopping rules achieve the target precision with substantially fewer samples than benchmark methods. The proposed framework provides a practical way to determine when enough information has been collected in personalized decision problems. It applies across multiple data-collection environments, including historical datasets, simulation models, and real systems, enabling practitioners to reduce unnecessary sampling while maintaining a desired level of decision quality.


Equivalence Testing Under Privacy Constraints

Pareek, Savita, Insolia, Luca, Molinari, Roberto, Guerrier, Stéphane

arXiv.org Machine Learning

Protecting individual privacy is essential across research domains, from socio-economic surveys to big-tech user data. This need is particularly acute in healthcare, where analyses often involve sensitive patient information. A typical example is comparing treatment efficacy across hospitals or ensuring consistency in diagnostic laboratory calibrations, both requiring privacy-preserving statistical procedures. However, standard equivalence testing procedures for differences in proportions or means, commonly used to assess average equivalence, can inadvertently disclose sensitive information. To address this problem, we develop differentially private equivalence testing procedures that rely on simulation-based calibration, as the finite-sample distribution is analytically intractable. Our approach introduces a unified framework, termed DP-TOST, for conducting differentially private equivalence testing of both means and proportions. Through numerical simulations and real-world applications, we demonstrate that the proposed method maintains type-I error control at the nominal level and achieves power comparable to its non-private counterpart as the privacy budget and/or sample size increases, while ensuring strong privacy guarantees. These findings establish a reliable and practical framework for privacy-preserving equivalence testing in high-stakes fields such as healthcare, among others.


A Data-Informed Variational Clustering Framework for Noisy High-Dimensional Data

Chen, Wan Ping

arXiv.org Machine Learning

Clustering in high-dimensional settings with severe feature noise remains challenging, especially when only a small subset of dimensions is informative and the final number of clusters is not specified in advance. In such regimes, partition recovery, feature relevance learning, and structural adaptation are tightly coupled, and standard likelihood-based methods can become unstable or overly sensitive to noisy dimensions. We propose DIVI, a data-informed variational clustering framework that combines global feature gating with split-based adaptive structure growth. DIVI uses informative prior initialization to stabilize optimization, learns feature relevance in a differentiable manner, and expands model complexity only when local diagnostics indicate underfit. Beyond clustering performance, we also examine runtime scalability and parameter sensitivity in order to clarify the computational and practical behavior of the framework. Empirically, we find that DIVI performs competitively under severe feature noise, remains computationally feasible, and yields interpretable feature-gating behavior, while also exhibiting conservative growth and identifiable failure regimes in challenging settings. Overall, DIVI is best viewed as a practical variational clustering framework for noisy high-dimensional data rather than as a fully Bayesian generative solution.


Choosing the Right Regularizer for Applied ML: Simulation Benchmarks of Popular Scikit-learn Regularization Frameworks

Knight, Benjamin S., Bajaj, Ahsaas

arXiv.org Machine Learning

This study surveys the historical development of regularization, tracing its evolution from stepwise regression in the 1960s to recent advancements in formal error control, structured penalties for non-independent features, Bayesian methods, and l0-based regularization (among other techniques). We empirically evaluate the performance of four canonical frameworks -- Ridge, Lasso, ElasticNet, and Post-Lasso OLS -- across 134,400 simulations spanning a 7-dimensional manifold grounded in eight production-grade machine learning models. Our findings demonstrate that for prediction accuracy when the sample-to-feature ratio is sufficient (n/p >= 78), Ridge, Lasso, and ElasticNet are nearly interchangeable. However, we find that Lasso recall is highly fragile under multicollinearity; at high condition numbers (kappa) and low SNR, Lasso recall collapses to 0.18 while ElasticNet maintains 0.93. Consequently, we advise practitioners against using Lasso or Post-Lasso OLS at high kappa with small sample sizes. The analysis concludes with an objective-driven decision guide to assist machine learning engineers in selecting the optimal scikit-learn-supported framework based on observable feature space attributes.


The Generalised Kernel Covariance Measure

Bergen, Luca, Sejdinovic, Dino, Didelez, Vanessa

arXiv.org Machine Learning

We consider the problem of conditional independence (CI) testing and adopt a kernel-based approach. Kernel-based CI tests embed variables in reproducing kernel Hilbert spaces, regress their embeddings on the conditioning variables, and test the resulting residuals for marginal independence. This approach yields tests that are sensitive to a broad range of conditional dependencies. Existing methods, however, rely heavily on kernel ridge regression, which is computationally expensive when properly tuned and yields poorly calibrated tests when left untuned, which limits their practical usefulness. We propose the Generalised Kernel Covariance Measure (GKCM), a regression-model-agnostic kernel-based CI test that accommodates a broad class of regression estimators. Building on the Generalised Hilbertian Covariance Measure framework (Lundborg et al., 2022), we characterise conditions under which GKCM satisfies uniform asymptotic level guarantees. In simulations, GKCM paired with tree-based regression models frequently outperforms state-of-the-art CI tests across a diverse range of data-generating processes, achieving better type I error control and competitive or superior power.


High-dimensional Many-to-many-to-many Mediation Analysis

Nguyen, Tien Dat, Tran, Trung Khang, Truong, Cong Khanh, Can, Duy-Cat, Nguyen, Binh T., Chén, Oliver Y.

arXiv.org Machine Learning

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.