We study two G-modeling strategies for estimating the signal distribution (the empirical Bayesian's prior) from observations corrupted with normal noise. First, we choose the signal distribution by minimizing Stein's unbiased risk estimate (SURE) of the implied Eddington/Tweedie Bayes denoiser, an approach motivated by optimal empirical Bayesian shrinkage estimation of the signals. Second, we select the signal distribution by minimizing Hyv\"arinen's score matching objective for the implied score (derivative of log-marginal density), targeting minimal Fisher divergence between estimated and true marginal densities. While these strategies appear distinct, they are known to be mathematically equivalent. We provide a unified analysis of SURE and score matching under both well-specified signal distribution classes and misspecification. In the classical well-specified setting with homoscedastic noise and compactly supported signal distribution, we establish nearly parametric rates of convergence of the empirical Bayes regret and the Fisher divergence. In a commonly studied misspecified model, we establish fast rates of convergence to the oracle denoiser and corresponding oracle inequalities. Our empirical results demonstrate competitiveness with nonparametric maximum likelihood in well-specified settings, while showing superior performance under misspecification, particularly in settings involving heteroscedasticity and side information.

This work applies modern AI tools (transformers) to solving one of the oldest statistical problems: Poisson means under empirical Bayes (Poisson-EB) setting. In Poisson-EB a high-dimensional mean vector $\theta$ (with iid coordinates sampled from an unknown prior $\pi$) is estimated on the basis of $X=\mathrm{Poisson}(\theta)$. A transformer model is pre-trained on a set of synthetically generated pairs $(X,\theta)$ and learns to do in-context learning (ICL) by adapting to unknown $\pi$. Theoretically, we show that a sufficiently wide transformer can achieve vanishing regret with respect to an oracle estimator who knows $\pi$ as dimension grows to infinity. Practically, we discover that already very small models (100k parameters) are able to outperform the best classical algorithm (non-parametric maximum likelihood, or NPMLE) both in runtime and validation loss, which we compute on out-of-distribution synthetic data as well as real-world datasets (NHL hockey, MLB baseball, BookCorpusOpen). Finally, by using linear probes, we confirm that the transformer's EB estimator appears to internally work differently from either NPMLE or Robbins' estimators.

Multivariate distributions often carry latent structures that are difficult to identify and estimate, and which better reflect the data generating mechanism than extrinsic structures exhibited simply by the raw data. In this paper, we propose a model-free approach for estimating such latent structures whenever they are present, without assuming they exist a priori. Given an arbitrary density $p_0$, we construct a multiscale representation of the density and propose data-driven methods for selecting representative models that capture meaningful discrete structure. Our approach uses a nonparametric maximum likelihood estimator to estimate the latent structure at different scales and we further characterize their asymptotic limits. By carrying out such a multiscale analysis, we obtain coarseto-fine structures inherent in the original distribution, which are integrated via a model selection procedure to yield an interpretable discrete representation of it. As an application, we design a clustering algorithm based on the proposed procedure and demonstrate its effectiveness in capturing a wide range of latent structures.

Mixing (or prior) density estimation is an important problem in machine learning and statistics, especially in empirical Bayes $g$-modeling where accurately estimating the prior is necessary for making good posterior inferences. In this paper, we propose neural-$g$, a new neural network-based estimator for $g$-modeling. Neural-$g$ uses a softmax output layer to ensure that the estimated prior is a valid probability density. Under default hyperparameters, we show that neural-$g$ is very flexible and capable of capturing many unknown densities, including those with flat regions, heavy tails, and/or discontinuities. In contrast, existing methods struggle to capture all of these prior shapes. We provide justification for neural-$g$ by establishing a new universal approximation theorem regarding the capability of neural networks to learn arbitrary probability mass functions. To accelerate convergence of our numerical implementation, we utilize a weighted average gradient descent approach to update the network parameters. Finally, we extend neural-$g$ to multivariate prior density estimation. We illustrate the efficacy of our approach through simulations and analyses of real datasets. A software package to implement neural-$g$ is publicly available at https://github.com/shijiew97/neuralG.

Suppose that we have a regression problem with response variable Y in $\mathbb{R}^d$ and predictor X in $\mathbb{R}^d$, for $d \geq 1$. In permuted or unlinked regression we have access to separate unordered data on X and Y, as opposed to data on (X,Y)-pairs in usual regression. So far in the literature the case $d=1$ has received attention, see e.g., the recent papers by Rigollet and Weed [Information & Inference, 8, 619--717] and Balabdaoui et al. [J. Mach. Learn. Res., 22(172), 1--60]. In this paper, we consider the general multivariate setting with $d \geq 1$. We show that the notion of cyclical monotonicity of the regression function is sufficient for identification and estimation in the permuted/unlinked regression model. We study permutation recovery in the permuted regression setting and develop a computationally efficient and easy-to-use algorithm for denoising based on the Kiefer-Wolfowitz [Ann. Math. Statist., 27, 887--906] nonparametric maximum likelihood estimator and techniques from the theory of optimal transport. We provide explicit upper bounds on the associated mean squared denoising error for Gaussian noise. As in previous work on the case $d = 1$, the permuted/unlinked setting involves slow (logarithmic) rates of convergence rooting in the underlying deconvolution problem. Numerical studies corroborate our theoretical analysis and show that the proposed approach performs at least on par with the methods in the aforementioned prior work in the case $d = 1$ while achieving substantial reductions in terms of computational complexity.

This paper investigates the theoretical and empirical performance of Fisher-Pitman-type permutation tests for assessing the equality of unknown Poisson mixture distributions. Building on nonparametric maximum likelihood estimators (NPMLEs) of the mixing distribution, these tests are theoretically shown to be able to adapt to complicated unspecified structures of count data and also consistent against their corresponding ANOVA-type alternatives; the latter is a result in parallel to classic claims made by Robinson (Robinson, 1973). The studied methods are then applied to a single-cell RNA-seq data obtained from different cell types from brain samples of autism subjects and healthy controls; empirically, they unveil genes that are differentially expressed between autism and control subjects yet are missed using common tests. For justifying their use, rate optimality of NPMLEs is also established in settings similar to nonparametric Gaussian (Wu and Yang, 2020a) and binomial mixtures (Tian et al., 2017; Vinayak et al., 2019).

Nonparametric maximum likelihood estimation is intended to infer the unknown density distribution while making as few assumptions as possible. To alleviate the over parameterization in nonparametric data fitting, smoothing assumptions are usually merged into the estimation. In this paper a novel boosting-based method is introduced to the nonparametric estimation in univariate cases. We deduce the boosting algorithm by the second-order approximation of nonparametric log-likelihood. Gaussian kernel and smooth spline are chosen as weak learners in boosting to satisfy the smoothing assumptions. Simulations and real data experiments demonstrate the efficacy of the proposed approach.

Introduced by Kiefer and Wolfowitz \cite{KW56}, the nonparametric maximum likelihood estimator (NPMLE) is a widely used methodology for learning mixture odels and empirical Bayes estimation. Sidestepping the non-convexity in mixture likelihood, the NPMLE estimates the mixing distribution by maximizing the total likelihood over the space of probability measures, which can be viewed as an extreme form of overparameterization. In this paper we discover a surprising property of the NPMLE solution. Consider, for example, a Gaussian mixture model on the real line with a subgaussian mixing distribution. Leveraging complex-analytic techniques, we show that with high probability the NPMLE based on a sample of size $n$ has $O(\log n)$ atoms (mass points), significantly improving the deterministic upper bound of $n$ due to Lindsay \cite{lindsay1983geometry1}. Notably, any such Gaussian mixture is statistically indistinguishable from a finite one with $O(\log n)$ components (and this is tight for certain mixtures). Thus, absent any explicit form of model selection, NPMLE automatically chooses the right model complexity, a property we term \emph{self-regularization}. Extensions to other exponential families are given. As a statistical application, we show that this structural property can be harnessed to bootstrap existing Hellinger risk bound of the (parametric) MLE for finite Gaussian mixtures to the NPMLE for general Gaussian mixtures, recovering a result of Zhang \cite{zhang2009generalized}.

We study the Nonparametric Maximum Likelihood Estimator (NPMLE) for estimating Gaussian location mixture densities in $d$-dimensions from independent observations. Unlike usual likelihood-based methods for fitting mixtures, NPMLEs are based on convex optimization. We prove finite sample results on the Hellinger accuracy of every NPMLE. Our results imply, in particular, that every NPMLE achieves near parametric risk (up to logarithmic multiplicative factors) when the true density is a discrete Gaussian mixture without any prior information on the number of mixture components. NPMLEs can naturally be used to yield empirical Bayes estimates of the Oracle Bayes estimator in the Gaussian denoising problem. We prove bounds for the accuracy of the empirical Bayes estimate as an approximation to the Oracle Bayes estimator. Here our results imply that the empirical Bayes estimator performs at nearly the optimal level (up to logarithmic multiplicative factors) for denoising in clustering situations without any prior knowledge of the number of clusters.