Kaizheng Wang

Yuling Yan, Kaizheng Wang, Philippe Rigollet · princeton

Gaussian mixture models form a flexible and expressive parametric family of distributions that has found applications in a wide variety of applications. Unfortunately, fitting these models to data is a notoriously hard problem from a computational perspective. Currently, only moment-based methods enjoy theoretical guarantees while likelihood-based methods are dominated by heuristics such as Expectation-Maximization that are known to fail in simple examples. In this work, we propose a new algorithm to compute the nonparametric maximum likelihood estimator (NPMLE) in a Gaussian mixture model. Our method is based on gradient descent over the space of probability measures equipped with the Wasserstein-Fisher-Rao geometry for which we establish convergence guarantees. In practice, it can be approximated using an interacting particle system where the weight and location of particles are updated alternately. We conduct extensive numerical experiments to confirm the effectiveness of the proposed algorithm compared not only to classical benchmarks but also to similar gradient descent algorithms with respect to simpler geometries. In particular, these simulations illustrate the benefit of updating both weight and location of the interacting particles.

Kaizheng Wang, Mingqian Ji, Jian Yang et al.

Single-stage fully sparse 3D object detectors rely on point clouds data to detect objects in autonomous driving scenarios. However, the sparsity and incompleteness of point clouds significantly limit the performance of 3D object detection. To address this issue, this paper proposes a point clouds completion method specifically designed for single-stage fully sparse detectors. The entire shape-prior-based completion process consists of two consecutive steps. In the first step, we design a novel Instance Selection module, which is capable of identifying point clouds corresponding to foreground objects even when the baseline model does not generate proposals, while effectively ignoring the point clouds of background regions. In the second step, we introduce a novel Alignment-Based Point Completion module, which aligns the point clouds of foreground objects with prototypes in terms of both their centers and orientations. Subsequently, points are selected from the prototype to fill in the missing parts of the foreground object. We evaluated our method on two single-stage fully sparse detectors using the KITTI dataset. The experimental results demonstrate that the proposed method significantly improves the detection performance, confirming its effectiveness and generalizability.

Kaizheng Wang

The Bayesian paradigm offers principled tools for sequential decision-making under uncertainty, but its reliance on a probabilistic model for all parameters can hinder the incorporation of complex structural constraints. We introduce a minimalist Bayesian framework that places a prior only on the location of the optimum, while eliminating nuisance parameters through profile likelihood. This yields a generalized posterior that naturally accommodates structural constraints. As a direct instantiation, we develop MINimalist Thompson Sampling (MINTS). For multi-armed bandits with mean constraints, we establish near-optimal non-asymptotic regret guarantees and sharp almost-sure asymptotic regret characterizations. In particular, MINTS attains the classical Lai--Robbins constant in the unstructured setting and automatically adapts to unimodal structure, achieving the sharp constant determined only by the immediate neighbors of the optimal arm.

Shireen Kudukkil Manchingal, Muhammad Mubashar, Kaizheng Wang et al. · oxford

Machine learning is increasingly deployed in safety-critical domains where erroneous predictions may lead to potentially catastrophic consequences, highlighting the need for learning systems to be aware of how confident they are in their own predictions: in other words, 'to know when they do not know'. In this paper, we propose a novel Random-Set Neural Network (RS-NN) approach to classification which predicts belief functions (rather than classical probability vectors) over the class list using the mathematics of random sets, i.e., distributions over the collection of sets of classes. RS-NN encodes the 'epistemic' uncertainty induced by training sets that are insufficiently representative or limited in size via the size of the convex set of probability vectors associated with a predicted belief function. Our approach outperforms state-of-the-art Bayesian and Ensemble methods in terms of accuracy, uncertainty estimation and out-of-distribution (OoD) detection on multiple benchmarks (CIFAR-10 vs SVHN/Intel-Image, MNIST vs FMNIST/KMNIST, ImageNet vs ImageNet-O). RS-NN also scales up effectively to large-scale architectures (e.g. WideResNet-28-10, VGG16, Inception V3, EfficientNetB2 and ViT-Base-16), exhibits remarkable robustness to adversarial attacks and can provide statistical guarantees in a conformal learning setting.

Kaizheng Wang, Xiao Xu, Xun Yu Zhou

We study a multi-factor block model for variable clustering and connect it to the regularized subspace clustering by formulating a distributionally robust version of the nodewise regression. To solve the latter problem, we derive a convex relaxation, provide guidance on selecting the size of the robust region, and hence the regularization weighting parameter, based on the data, and propose an ADMM algorithm for implementation. We validate our method in an extensive simulation study. Finally, we propose and apply a variant of our method to stock return data, obtain interpretable clusters that facilitate portfolio selection and compare its out-of-sample performance with other clustering methods in an empirical study.

Henry Lam, Kaizheng Wang, Yuhang Wu et al.

We study the problem of multi-task non-smooth optimization that arises ubiquitously in statistical learning, decision-making and risk management. We develop a data fusion approach that adaptively leverages commonalities among a large number of objectives to improve sample efficiency while tackling their unknown heterogeneities. We provide sharp statistical guarantees for our approach. Numerical experiments on both synthetic and real data demonstrate significant advantages of our approach over benchmarks.

Keivan Shariatmadar, Kaizheng Wang, Calvin R. Hubbard et al.

Optimization equips engineers and scientists in a variety of fields with the ability to transcribe their problems into a generic formulation and receive optimal solutions with relative ease. Industries ranging from aerospace to robotics continue to benefit from advancements in optimization theory and the associated algorithmic developments. Nowadays, optimization is used in real time on autonomous systems acting in safety critical situations, such as self-driving vehicles. It has become increasingly more important to produce robust solutions by incorporating uncertainty into optimization programs. This paper provides a short survey about the state of the art in optimization under uncertainty. The paper begins with a brief overview of the main classes of optimization without uncertainty. The rest of the paper focuses on the different methods for handling both aleatoric and epistemic uncertainty. Many of the applications discussed in this paper are within the domain of control. The goal of this survey paper is to briefly touch upon the state of the art in a variety of different methods and refer the reader to other literature for more in-depth treatments of the topics discussed here.

Kaizheng Wang, Yunjia Wang, Fabio Cuzzolin et al. · oxford

Epistemic uncertainty in neural networks is commonly modeled using two second-order paradigms: distribution-based representations, which rely on posterior parameter distributions, and set-based representations based on credal sets (convex sets of probability distributions). These frameworks are often regarded as fundamentally non-comparable due to differing semantics, assumptions, and evaluation practices, leaving their relative merits unclear. Empirical comparisons are further confounded by variations in the underlying predictive models. To clarify this issue, we present a controlled comparative study enabling principled, like-for-like evaluation of the two paradigms. Both representations are constructed from the same finite collection of predictive distributions generated by a shared neural network, isolating representational effects from predictive accuracy. Our study evaluates each representation through the lens of 3 uncertainty measures across 8 benchmarks, including selective prediction and out-of-distribution detection, spanning 6 underlying predictive models and 10 independent runs per configuration. Our results show that meaningful comparison between these seemingly non-comparable frameworks is both feasible and informative, providing insights into how second-order representation choices impact practical uncertainty-aware performance.

Agostino Capponi, Chengpiao Huang, J. Antonio Sidaoui et al.

We investigate machine learning models for stock return prediction in non-stationary environments, revealing a fundamental nonstationarity-complexity tradeoff: complex models reduce misspecification error but require longer training windows that introduce stronger non-stationarity. We resolve this tension with a novel model selection method that jointly optimizes model class and training window size using a tournament procedure that adaptively evaluates candidates on non-stationary validation data. Our theoretical analysis demonstrates that this approach balances misspecification error, estimation variance, and non-stationarity, performing close to the best model in hindsight. Applying our method to 17 industry portfolio returns, we consistently outperform standard rolling-window benchmarks, improving out-of-sample $R^2$ by 14-23% on average. During NBER-designated recessions, improvements are substantial: our method achieves positive $R^2$ during the Gulf War recession while benchmarks are negative, and improves $R^2$ in absolute terms by at least 80bps during the 2001 recession as well as superior performance during the 2008 Financial Crisis. Economically, a trading strategy based on our selected model generates 31% higher cumulative returns averaged across the industries.

Yang Yang, Kaixiong Xu, Kaizheng Wang

Multispectral pedestrian detection is a technology designed to detect and locate pedestrians in Color and Thermal images, which has been widely used in automatic driving, video surveillance, etc. So far most available multispectral pedestrian detection algorithms only achieved limited success in pedestrian detection because of the lacking take into account the confusion of pedestrian information and background noise in Color and Thermal images. Here we propose a multispectral pedestrian detection algorithm, which mainly consists of a cascaded information enhancement module and a cross-modal attention feature fusion module. On the one hand, the cascaded information enhancement module adopts the channel and spatial attention mechanism to perform attention weighting on the features fused by the cascaded feature fusion block. Moreover, it multiplies the single-modal features with the attention weight element by element to enhance the pedestrian features in the single-modal and thus suppress the interference from the background. On the other hand, the cross-modal attention feature fusion module mines the features of both Color and Thermal modalities to complement each other, then the global features are constructed by adding the cross-modal complemented features element by element, which are attentionally weighted to achieve the effective fusion of the two modal features. Finally, the fused features are input into the detection head to detect and locate pedestrians. Extensive experiments have been performed on two improved versions of annotations (sanitized annotations and paired annotations) of the public dataset KAIST. The experimental results show that our method demonstrates a lower pedestrian miss rate and more accurate pedestrian detection boxes compared to the comparison method. Additionally, the ablation experiment also proved the effectiveness of each module designed in this paper.

Kaizheng Wang, Ghifari Adam Faza, Fabio Cuzzolin et al.

Credal predictors are models that are aware of epistemic uncertainty and produce a convex set of probabilistic predictions. They offer a principled way to quantify predictive epistemic uncertainty (EU) and have been shown to improve model robustness in various settings. However, most state-of-the-art methods mainly define EU as disagreement caused by random training initializations, which mostly reflects sensitivity to optimization randomness rather than uncertainty from deeper sources. To address this, we define EU as disagreement among models trained with varying relaxations of the i.i.d. assumption between training and test data. Based on this idea, we propose CreDRO, which learns an ensemble of plausible models through distributionally robust optimization. As a result, CreDRO captures EU not only from training randomness but also from meaningful disagreement due to potential distribution shifts between training and test data. Empirical results show that CreDRO consistently outperforms existing credal methods on tasks such as out-of-distribution detection across multiple benchmarks and selective classification in medical applications.

Chengpiao Huang, Kaizheng Wang

We develop a versatile framework for statistical learning in non-stationary environments. In each time period, our approach applies a stability principle to select a look-back window that maximizes the utilization of historical data while keeping the cumulative bias within an acceptable range relative to the stochastic error. Our theory showcases the adaptivity of this approach to unknown non-stationarity. We prove regret bounds that are minimax optimal up to logarithmic factors when the population losses are strongly convex, or Lipschitz only. At the heart of our analysis lie two novel components: a measure of similarity between functions and a segmentation technique for dividing the non-stationary data sequence into quasi-stationary pieces. We evaluate the practical performance of our approach through real-data experiments on electricity demand prediction and hospital nurse staffing.

Kaizheng Wang

We develop and analyze a principled approach to kernel ridge regression under covariate shift. The goal is to learn a regression function with small mean squared error over a target distribution, based on unlabeled data from there and labeled data that may have a different feature distribution. We propose to split the labeled data into two subsets, and conduct kernel ridge regression on them separately to obtain a collection of candidate models and an imputation model. We use the latter to fill the missing labels and then select the best candidate accordingly. Our non-asymptotic excess risk bounds demonstrate that our estimator adapts effectively to both the structure of the target distribution and the covariate shift. This adaptation is quantified through a notion of effective sample size that reflects the value of labeled source data for the target regression task. Our estimator achieves the minimax optimal error rate up to a polylogarithmic factor, and we find that using pseudo-labels for model selection does not significantly hinder performance.

Seok-Jin Kim, Kaizheng Wang

We study the problem of estimating the effect function for a continuous treatment, which maps each treatment value to a population-averaged outcome. A central challenge in this setting is confounding: treatment assignment often depends on covariates, creating selection bias that makes direct regression of the response on treatment unreliable. To address this issue, we propose a two-stage kernel ridge regression method. In the first stage, we learn a model for the response as a function of both treatment and covariates; in the second stage, we use this model to construct pseudo-outcomes that correct for distribution shift, and then fit a second model to estimate the treatment effect. Although the response varies with both treatment and covariates, the induced effect function obtained by averaging over covariates is typically much simpler, and our estimator adapts to this structure. Furthermore, we introduce a fully data-driven model selection procedure that achieves provable adaptivity to both the unknown degree of overlap and the regularity (eigenvalue decay) of the underlying kernel.

Garud Iyengar, Yu-Shiou Willy Lin, Kaizheng Wang

As generative AI models are increasingly used to simulate real-world systems, quantifying the ``sim-to-real'' gap is critical. The distributional discrepancy between real and simulated outputs is a random variable driven by the stochastic input scenario. A fundamental challenge is that for any given input, the ground-truth and simulated output distributions are only observable through finite batches of samples, often of heterogeneous sizes. This renders standard predictive inference methods inapplicable, as they seek to quantify uncertainty in observable outputs rather than their underlying population parameters. To address this, we construct confidence sets for these latent parameters and use them to derive a robust proxy for the sim-to-real discrepancy. We then estimate the quantile function of this proxy to provide a comprehensive risk profile of the simulator. Our method is model-agnostic and handles general output spaces, such as categorical survey responses and continuous multi-dimensional sensor data. By rigorously accounting for sampling error, the resulting risk profile supports statistical inference for the real output distribution in a new scenario, the calculation of risk measures like Conditional Value-at-Risk (CVaR), and principled comparisons across simulators. We demonstrate the practical utility of this method by evaluating the alignment of four major LLMs with human populations on the WorldValueBench dataset.

Kaizheng Wang, Fabio Cuzzolin, David Moens et al.

Deep ensembles (DE) have emerged as a powerful approach for quantifying predictive uncertainty and distinguishing its aleatoric and epistemic components, thereby enhancing model robustness and reliability. However, their high computational and memory costs during inference pose significant challenges for wide practical deployment. To overcome this issue, we propose credal ensemble distillation (CED), a novel framework that compresses a DE into a single model, CREDIT, for classification tasks. Instead of a single softmax probability distribution, CREDIT predicts class-wise probability intervals that define a credal set, a convex set of probability distributions, for uncertainty quantification. Empirical results on out-of-distribution detection benchmarks demonstrate that CED achieves superior or comparable uncertainty estimation compared to several existing baselines, while substantially reducing inference overhead compared to DE.

Nathan Weill, Kaizheng Wang

We propose a principled framework for unsupervised domain adaptation under covariate shift in kernel Generalized Linear Models (GLMs), encompassing kernelized linear, logistic, and Poisson regression with ridge regularization. Our goal is to minimize prediction error in the target domain by leveraging labeled source data and unlabeled target data, despite differences in covariate distributions. We partition the labeled source data into two batches: one for training a family of candidate models, and the other for building an imputation model. This imputation model generates pseudo-labels for the target data, enabling robust model selection. We establish non-asymptotic excess-risk bounds that characterize adaptation performance through an "effective labeled sample size", explicitly accounting for the unknown covariate shift. Experiments on synthetic and real datasets demonstrate consistent performance gains over source-only baselines.

Kaizheng Wang, Yuhang Wu, Assaf Zeevi

We study adaptive querying for learning user-dependent quantities of interest, such as responses to held-out items and psychometric indicators, within tight question budgets. Classical Bayesian design and computerized adaptive testing typically rely on restrictive parametric assumptions or expensive posterior approximations, limiting their use in heterogeneous, high-dimensional, and cold-start settings. We introduce a persona-induced latent variable model that represents a user's state through membership in a finite dictionary of AI personas, each offering response distributions produced by a large language model. This yields expressive priors with closed-form posterior updates and efficient finite-mixture predictions, enabling scalable Bayesian design for sequential item selection. Experiments on synthetic data and WorldValuesBench demonstrate that persona-based posteriors deliver accurate probabilistic predictions and an interpretable adaptive elicitation pipeline.

Kaizheng Wang, Keivan Shariatmadar, Shireen Kudukkil Manchingal et al.

Effective uncertainty estimation is becoming increasingly attractive for enhancing the reliability of neural networks. This work presents a novel approach, termed Credal-Set Interval Neural Networks (CreINNs), for classification. CreINNs retain the fundamental structure of traditional Interval Neural Networks, capturing weight uncertainty through deterministic intervals. CreINNs are designed to predict an upper and a lower probability bound for each class, rather than a single probability value. The probability intervals can define a credal set, facilitating estimating different types of uncertainties associated with predictions. Experiments on standard multiclass and binary classification tasks demonstrate that the proposed CreINNs can achieve superior or comparable quality of uncertainty estimation compared to variational Bayesian Neural Networks (BNNs) and Deep Ensembles. Furthermore, CreINNs significantly reduce the computational complexity of variational BNNs during inference. Moreover, the effective uncertainty quantification of CreINNs is also verified when the input data are intervals.

Elise Han, Chengpiao Huang, Kaizheng Wang

We investigate model assessment and selection in a changing environment, by synthesizing datasets from both the current time period and historical epochs. To tackle unknown and potentially arbitrary temporal distribution shift, we develop an adaptive rolling window approach to estimate the generalization error of a given model. This strategy also facilitates the comparison between any two candidate models by estimating the difference of their generalization errors. We further integrate pairwise comparisons into a single-elimination tournament, achieving near-optimal model selection from a collection of candidates. Theoretical analyses and numerical experiments demonstrate the adaptivity of our proposed methods to the non-stationarity in data.

Shireen Kudukkil Manchingal, Muhammad Mubashar, Kaizheng Wang et al. · oxford

Predictions of uncertainty-aware models are diverse, ranging from single point estimates (often averaged over prediction samples) to predictive distributions, to set-valued or credal-set representations. We propose a novel unified evaluation framework for uncertainty-aware classifiers, applicable to a wide range of model classes, which allows users to tailor the trade-off between accuracy and precision of predictions via a suitably designed performance metric. This makes possible the selection of the most suitable model for a particular real-world application as a function of the desired trade-off. Our experiments, concerning Bayesian, ensemble, evidential, deterministic, credal and belief function classifiers on the CIFAR-10, MNIST and CIFAR-100 datasets, show that the metric behaves as desired.

Grace Jiarui Fan, Chengpiao Huang, Tianyi Peng et al.

AI-based persona simulation -- often referred to as digital twin simulation -- is increasingly used for market research, recommender systems, and social sciences. Despite their flexibility, large language models (LLMs) often exhibit systematic bias and miscalibration relative to real human behavior, limiting their reliability. Inspired by synthetic control methods from causal inference, we propose SYN-DIGITS (SYNthetic Control Framework for Calibrated DIGItal Twin Simulation), a principled and lightweight calibration framework that learns latent structure from digital-twin responses and transfers it to align predictions with human ground truth. SYN-DIGITS operates as a post-processing layer on top of any LLM-based simulator and thus is model-agnostic. We develop a latent factor model that formalizes when and why calibration succeeds through latent space alignment conditions, and we systematically evaluate ten calibration methods across thirteen persona constructions, three LLMs, and two datasets. SYN-DIGITS supports both individual-level and distributional simulation for previously unseen questions and unobserved populations, with provable error guarantees. Experiments show that SYN-DIGITS achieves up to 50% relative improvements in individual-level correlation and 50--90% relative reductions in distributional discrepancy compared to uncalibrated baselines.

Chengpiao Huang, Yuhang Wu, Kaizheng Wang

We investigate the use of large language models (LLMs) to simulate human responses to survey questions, and perform uncertainty quantification to gain reliable insights. Our approach converts imperfect LLM-simulated responses into confidence sets for population parameters of human responses, addressing the distribution shift between the simulated and real populations. A key innovation lies in determining the optimal number of simulated responses: too many produce overly narrow confidence sets with poor coverage, while too few yield excessively loose estimates. To resolve this, our method adaptively selects the simulation sample size, ensuring valid average-case coverage guarantees. It is broadly applicable to any LLM, irrespective of its fidelity, and any procedure for constructing confidence sets. Additionally, the selected sample size quantifies the degree of misalignment between the LLM and the target human population. We illustrate our method on real datasets and LLMs.

Qiang Du, Kaizheng Wang, Edith Zhang et al.

Variational inference is a fast and scalable alternative to Markov chain Monte Carlo and has been widely applied to posterior inference tasks in statistics and machine learning. A traditional approach for implementing mean-field variational inference (MFVI) is coordinate ascent variational inference (CAVI), which relies crucially on parametric assumptions on complete conditionals. In this paper, we introduce a novel particle-based algorithm for mean-field variational inference, which we term PArticle VI (PAVI). Notably, our algorithm does not rely on parametric assumptions on complete conditionals, and it applies to the nonparametric setting. We provide non-asymptotic finite-particle convergence guarantee for our algorithm. To our knowledge, this is the first end-to-end guarantee for particle-based MFVI.

Kaizheng Wang, Fabio Cuzzolin, Keivan Shariatmadar et al.

This paper presents an innovative approach, called credal wrapper, to formulating a credal set representation of model averaging for Bayesian neural networks (BNNs) and deep ensembles (DEs), capable of improving uncertainty estimation in classification tasks. Given a finite collection of single predictive distributions derived from BNNs or DEs, the proposed credal wrapper approach extracts an upper and a lower probability bound per class, acknowledging the epistemic uncertainty due to the availability of a limited amount of distributions. Such probability intervals over classes can be mapped on a convex set of probabilities (a credal set) from which, in turn, a unique prediction can be obtained using a transformation called intersection probability transformation. In this article, we conduct extensive experiments on several out-of-distribution (OOD) detection benchmarks, encompassing various dataset pairs (CIFAR10/100 vs SVHN/Tiny-ImageNet, CIFAR10 vs CIFAR10-C, CIFAR100 vs CIFAR100-C and ImageNet vs ImageNet-O) and using different network architectures (such as VGG16, ResNet-18/50, EfficientNet B2, and ViT Base). Compared to the BNN and DE baselines, the proposed credal wrapper method exhibits superior performance in uncertainty estimation and achieves a lower expected calibration error on corrupted data.

Maryam Sultana, Neil Yorke-Smith, Kaizheng Wang et al. · oxford

Uncertainty estimation is pivotal in machine learning, especially for classification tasks, as it improves the robustness and reliability of models. We introduce a novel `Epistemic Wrapping' methodology aimed at improving uncertainty estimation in classification. Our approach uses Bayesian Neural Networks (BNNs) as a baseline and transforms their outputs into belief function posteriors, effectively capturing epistemic uncertainty and offering an efficient and general methodology for uncertainty quantification. Comprehensive experiments employing a Bayesian Neural Network (BNN) baseline and an Interval Neural Network for inference on the MNIST, Fashion-MNIST, CIFAR-10 and CIFAR-100 datasets demonstrate that our Epistemic Wrapper significantly enhances generalisation and uncertainty quantification.

Yuqi Gu, Zhongyuan Lyu, Kaizheng Wang

We propose a general transfer learning framework for clustering given a main dataset and an auxiliary one about the same subjects. The two datasets may reflect similar but different latent grouping structures of the subjects. We propose an adaptive transfer clustering (ATC) algorithm that automatically leverages the commonality in the presence of unknown discrepancy, by optimizing an estimated bias-variance decomposition. It applies to a broad class of statistical models including Gaussian mixture models, stochastic block models, and latent class models. A theoretical analysis proves the optimality of ATC under the Gaussian mixture model and explicitly quantifies the benefit of transfer. Extensive simulations and real data experiments confirm our method's effectiveness in various scenarios.

Kaizheng Wang

The Bayesian paradigm offers principled tools for sequential decision-making under uncertainty, but its reliance on a probabilistic model for all parameters can hinder the incorporation of complex structural constraints. We introduce a minimalist Bayesian framework that places a prior only on the component of interest, such as the location of the optimum. Nuisance parameters are eliminated via profile likelihood, which naturally handles constraints. As a direct instantiation, we develop a MINimalist Thompson Sampling (MINTS) algorithm. Our framework accommodates structured problems, including continuum-armed Lipschitz bandits and dynamic pricing. It also provides a probabilistic lens on classical convex optimization algorithms such as the center of gravity and ellipsoid methods. We further analyze MINTS for multi-armed bandits and establish near-optimal regret guarantees.

Seok-Jin Kim, Hongjie Liu, Molei Liu et al.

The proliferation of data has sparked significant interest in leveraging findings from one study to estimate treatment effects in a different target population without direct outcome observations. However, the transfer learning process is frequently hindered by substantial covariate shift and limited overlap between (i) the source and target populations, as well as (ii) the treatment and control groups within the source. We propose a novel method for overlap-adaptive transfer learning of conditional average treatment effect (CATE) using kernel ridge regression (KRR). Our approach involves partitioning the labeled source data into two subsets. The first one is used to train candidate CATE models based on regression adjustment and pseudo-outcomes. An optimal model is then selected using the second subset and unlabeled target data, employing another pseudo-outcome-based strategy. We provide a theoretical justification for our method through sharp non-asymptotic MSE bounds, highlighting its adaptivity to both weak overlaps and the complexity of CATE function. Extensive numerical studies confirm that our method achieves superior finite-sample efficiency and adaptability. We conclude by demonstrating the effectiveness of our approach using a 401(k) eligibility dataset.

Chengpiao Huang, Kaizheng Wang

In this note, we present a novel measure of similarity between two functions. It quantifies how the sub-optimality gaps of two functions convert to each other, and unifies several existing notions of functional similarity. We show that it has convenient operation rules, and illustrate its use in empirical risk minimization and non-stationary online optimization.

Jinhang Chai, Yaqi Duan, Jianqing Fan et al.

We study the problem of contextual dynamic pricing with a linear demand model. We propose a novel localized exploration-then-commit (LetC) algorithm which starts with a pure exploration stage, followed by a refinement stage that explores near the learned optimal pricing policy, and finally enters a pure exploitation stage. The algorithm is shown to achieve a minimax optimal, dimension-free regret bound when the time horizon exceeds a polynomial of the covariate dimension. Furthermore, we provide a general theoretical framework that encompasses the entire time spectrum, demonstrating how to balance exploration and exploitation when the horizon is limited. The analysis is powered by a novel critical inequality that depicts the exploration-exploitation trade-off in dynamic pricing, mirroring its existing counterpart for the bias-variance trade-off in regularized regression. Our theoretical results are validated by extensive experiments on synthetic and real-world data.

Elise Han, Chengpiao Huang, Kaizheng Wang

Distribution-free prediction sets play a pivotal role in uncertainty quantification for complex statistical models. Their validity hinges on reliable calibration data, which may not be readily available as real-world environments often undergo unknown changes over time. In this paper, we propose a strategy for choosing an adaptive window and use the data therein to construct prediction sets. The window is selected by optimizing an estimated bias-variance tradeoff. We provide sharp coverage guarantees for our method, showing its adaptivity to the underlying temporal drift. We also illustrate its efficacy through numerical experiments on synthetic and real data.

Yaqi Duan, Kaizheng Wang

We study the multi-task learning problem that aims to simultaneously analyze multiple datasets collected from different sources and learn one model for each of them. We propose a family of adaptive methods that automatically utilize possible similarities among those tasks while carefully handling their differences. We derive sharp statistical guarantees for the methods and prove their robustness against outlier tasks. Numerical experiments on synthetic and real datasets demonstrate the efficacy of our new methods.

Damek Davis, Mateo Díaz, Kaizheng Wang

We investigate a clustering problem with data from a mixture of Gaussians that share a common but unknown, and potentially ill-conditioned, covariance matrix. We start by considering Gaussian mixtures with two equally-sized components and derive a Max-Cut integer program based on maximum likelihood estimation. We prove its solutions achieve the optimal misclassification rate when the number of samples grows linearly in the dimension, up to a logarithmic factor. However, solving the Max-cut problem appears to be computationally intractable. To overcome this, we develop an efficient spectral algorithm that attains the optimal rate but requires a quadratic sample size. Although this sample complexity is worse than that of the Max-cut problem, we conjecture that no polynomial-time method can perform better. Furthermore, we gather numerical and theoretical evidence that supports the existence of a statistical-computational gap. Finally, we generalize the Max-Cut program to a $k$-means program that handles multi-component mixtures with possibly unequal weights. It enjoys similar optimality guarantees for mixtures of distributions that satisfy a transportation-cost inequality, encompassing Gaussian and strongly log-concave distributions.

Emmanuel Abbe, Jianqing Fan, Kaizheng Wang

Principal Component Analysis (PCA) is a powerful tool in statistics and machine learning. While existing study of PCA focuses on the recovery of principal components and their associated eigenvalues, there are few precise characterizations of individual principal component scores that yield low-dimensional embedding of samples. That hinders the analysis of various spectral methods. In this paper, we first develop an $\ell_p$ perturbation theory for a hollowed version of PCA in Hilbert spaces which provably improves upon the vanilla PCA in the presence of heteroscedastic noises. Through a novel $\ell_p$ analysis of eigenvectors, we investigate entrywise behaviors of principal component score vectors and show that they can be approximated by linear functionals of the Gram matrix in $\ell_p$ norm, which includes $\ell_2$ and $\ell_\infty$ as special examples. For sub-Gaussian mixture models, the choice of $p$ giving optimal bounds depends on the signal-to-noise ratio, which further yields optimality guarantees for spectral clustering. For contextual community detection, the $\ell_p$ theory leads to a simple spectral algorithm that achieves the information threshold for exact recovery. These also provide optimal recovery results for Gaussian mixture and stochastic block models as special cases.

Kaizheng Wang, Yuling Yan, Mateo Díaz

This paper considers a canonical clustering problem where one receives unlabeled samples drawn from a balanced mixture of two elliptical distributions and aims for a classifier to estimate the labels. Many popular methods including PCA and k-means require individual components of the mixture to be somewhat spherical, and perform poorly when they are stretched. To overcome this issue, we propose a non-convex program seeking for an affine transform to turn the data into a one-dimensional point cloud concentrating around $-1$ and $1$, after which clustering becomes easy. Our theoretical contributions are two-fold: (1) we show that the non-convex loss function exhibits desirable geometric properties when the sample size exceeds some constant multiple of the dimension, and (2) we leverage this to prove that an efficient first-order algorithm achieves near-optimal statistical precision without good initialization. We also propose a general methodology for clustering with flexible choices of feature transforms and loss objectives.

Kaizheng Wang

This paper presents compact notations for concentration inequalities and convenient results to streamline probabilistic analysis. The new expressions describe the typical sizes and tails of random variables, allowing for simple operations without heavy use of inessential constants. They bridge classical asymptotic notations and modern non-asymptotic tail bounds together. Examples of different kinds demonstrate their efficacy.

Jianqing Fan, Yongyi Guo, Kaizheng Wang

When the data are stored in a distributed manner, direct application of traditional statistical inference procedures is often prohibitive due to communication cost and privacy concerns. This paper develops and investigates two Communication-Efficient Accurate Statistical Estimators (CEASE), implemented through iterative algorithms for distributed optimization. In each iteration, node machines carry out computation in parallel and communicate with the central processor, which then broadcasts aggregated information to node machines for new updates. The algorithms adapt to the similarity among loss functions on node machines, and converge rapidly when each node machine has large enough sample size. Moreover, they do not require good initialization and enjoy linear converge guarantees under general conditions. The contraction rate of optimization errors is presented explicitly, with dependence on the local sample size unveiled. In addition, the improved statistical accuracy per iteration is derived. By regarding the proposed method as a multi-step statistical estimator, we show that statistical efficiency can be achieved in finite steps in typical statistical applications. In addition, we give the conditions under which the one-step CEASE estimator is statistically efficient. Extensive numerical experiments on both synthetic and real data validate the theoretical results and demonstrate the superior performance of our algorithms.

Jianqing Fan, Kaizheng Wang, Yiqiao Zhong et al.

Factor models are a class of powerful statistical models that have been widely used to deal with dependent measurements that arise frequently from various applications from genomics and neuroscience to economics and finance. As data are collected at an ever-growing scale, statistical machine learning faces some new challenges: high dimensionality, strong dependence among observed variables, heavy-tailed variables and heterogeneity. High-dimensional robust factor analysis serves as a powerful toolkit to conquer these challenges. This paper gives a selective overview on recent advance on high-dimensional factor models and their applications to statistics including Factor-Adjusted Robust Model selection (FarmSelect) and Factor-Adjusted Robust Multiple testing (FarmTest). We show that classical methods, especially principal component analysis (PCA), can be tailored to many new problems and provide powerful tools for statistical estimation and inference. We highlight PCA and its connections to matrix perturbation theory, robust statistics, random projection, false discovery rate, etc., and illustrate through several applications how insights from these fields yield solutions to modern challenges. We also present far-reaching connections between factor models and popular statistical learning problems, including network analysis and low-rank matrix recovery.

Cong Ma, Kaizheng Wang, Yuejie Chi et al.

Recent years have seen a flurry of activities in designing provably efficient nonconvex procedures for solving statistical estimation problems. Due to the highly nonconvex nature of the empirical loss, state-of-the-art procedures often require proper regularization (e.g. trimming, regularized cost, projection) in order to guarantee fast convergence. For vanilla procedures such as gradient descent, however, prior theory either recommends highly conservative learning rates to avoid overshooting, or completely lacks performance guarantees. This paper uncovers a striking phenomenon in nonconvex optimization: even in the absence of explicit regularization, gradient descent enforces proper regularization implicitly under various statistical models. In fact, gradient descent follows a trajectory staying within a basin that enjoys nice geometry, consisting of points incoherent with the sampling mechanism. This "implicit regularization" feature allows gradient descent to proceed in a far more aggressive fashion without overshooting, which in turn results in substantial computational savings. Focusing on three fundamental statistical estimation problems, i.e. phase retrieval, low-rank matrix completion, and blind deconvolution, we establish that gradient descent achieves near-optimal statistical and computational guarantees without explicit regularization. In particular, by marrying statistical modeling with generic optimization theory, we develop a general recipe for analyzing the trajectories of iterative algorithms via a leave-one-out perturbation argument. As a byproduct, for noisy matrix completion, we demonstrate that gradient descent achieves near-optimal error control --- measured entrywise and by the spectral norm --- which might be of independent interest.

Yuxin Chen, Jianqing Fan, Cong Ma et al.

This paper is concerned with the problem of top-$K$ ranking from pairwise comparisons. Given a collection of $n$ items and a few pairwise comparisons across them, one wishes to identify the set of $K$ items that receive the highest ranks. To tackle this problem, we adopt the logistic parametric model --- the Bradley-Terry-Luce model, where each item is assigned a latent preference score, and where the outcome of each pairwise comparison depends solely on the relative scores of the two items involved. Recent works have made significant progress towards characterizing the performance (e.g. the mean square error for estimating the scores) of several classical methods, including the spectral method and the maximum likelihood estimator (MLE). However, where they stand regarding top-$K$ ranking remains unsettled. We demonstrate that under a natural random sampling model, the spectral method alone, or the regularized MLE alone, is minimax optimal in terms of the sample complexity --- the number of paired comparisons needed to ensure exact top-$K$ identification, for the fixed dynamic range regime. This is accomplished via optimal control of the entrywise error of the score estimates. We complement our theoretical studies by numerical experiments, confirming that both methods yield low entrywise errors for estimating the underlying scores. Our theory is established via a novel leave-one-out trick, which proves effective for analyzing both iterative and non-iterative procedures. Along the way, we derive an elementary eigenvector perturbation bound for probability transition matrices, which parallels the Davis-Kahan $\sinΘ$ theorem for symmetric matrices. This also allows us to close the gap between the $\ell_2$ error upper bound for the spectral method and the minimax lower limit.