Raaz Dwivedi

Abhin Shah, Raaz Dwivedi, Devavrat Shah et al. · harvard, mit

Given an observational study with $n$ independent but heterogeneous units, our goal is to learn the counterfactual distribution for each unit using only one $p$-dimensional sample per unit containing covariates, interventions, and outcomes. Specifically, we allow for unobserved confounding that introduces statistical biases between interventions and outcomes as well as exacerbates the heterogeneity across units. Modeling the conditional distribution of the outcomes as an exponential family, we reduce learning the unit-level counterfactual distributions to learning $n$ exponential family distributions with heterogeneous parameters and only one sample per distribution. We introduce a convex objective that pools all $n$ samples to jointly learn all $n$ parameter vectors, and provide a unit-wise mean squared error bound that scales linearly with the metric entropy of the parameter space. For example, when the parameters are $s$-sparse linear combination of $k$ known vectors, the error is $O(s\log k/p)$. En route, we derive sufficient conditions for compactly supported distributions to satisfy the logarithmic Sobolev inequality. As an application of the framework, our results enable consistent imputation of sparsely missing covariates.

Raaz Dwivedi, Katherine Tian, Sabina Tomkins et al. · harvard, mit

We introduce and analyze an improved variant of nearest neighbors (NN) for estimation with missing data in latent factor models. We consider a matrix completion problem with missing data, where the $(i, t)$-th entry, when observed, is given by its mean $f(u_i, v_t)$ plus mean-zero noise for an unknown function $f$ and latent factors $u_i$ and $v_t$. Prior NN strategies, like unit-unit NN, for estimating the mean $f(u_i, v_t)$ relies on existence of other rows $j$ with $u_j \approx u_i$. Similarly, time-time NN strategy relies on existence of columns $t'$ with $v_{t'} \approx v_t$. These strategies provide poor performance respectively when similar rows or similar columns are not available. Our estimate is doubly robust to this deficit in two ways: (1) As long as there exist either good row or good column neighbors, our estimate provides a consistent estimate. (2) Furthermore, if both good row and good column neighbors exist, it provides a (near-)quadratic improvement in the non-asymptotic error and admits a significantly narrower asymptotic confidence interval when compared to both unit-unit or time-time NN.

Carles Domingo-Enrich, Raaz Dwivedi, Lester Mackey · harvard, mit

Kernel two-sample testing provides a powerful framework for distinguishing any pair of distributions based on $n$ sample points. However, existing kernel tests either run in $n^2$ time or sacrifice undue power to improve runtime. To address these shortcomings, we introduce Compress Then Test (CTT), a new framework for high-powered kernel testing based on sample compression. CTT cheaply approximates an expensive test by compressing each $n$ point sample into a small but provably high-fidelity coreset. For standard kernels and subexponential distributions, CTT inherits the statistical behavior of a quadratic-time test -- recovering the same optimal detection boundary -- while running in near-linear time. We couple these advances with cheaper permutation testing, justified by new power analyses; improved time-vs.-quality guarantees for low-rank approximation; and a fast aggregation procedure for identifying especially discriminating kernels. In our experiments with real and simulated data, CTT and its extensions provide 20--200x speed-ups over state-of-the-art approximate MMD tests with no loss of power.

Susobhan Ghosh, Raphael Kim, Prasidh Chhabria et al. · harvard, mit

There is a growing interest in using reinforcement learning (RL) to personalize sequences of treatments in digital health to support users in adopting healthier behaviors. Such sequential decision-making problems involve decisions about when to treat and how to treat based on the user's context (e.g., prior activity level, location, etc.). Online RL is a promising data-driven approach for this problem as it learns based on each user's historical responses and uses that knowledge to personalize these decisions. However, to decide whether the RL algorithm should be included in an ``optimized'' intervention for real-world deployment, we must assess the data evidence indicating that the RL algorithm is actually personalizing the treatments to its users. Due to the stochasticity in the RL algorithm, one may get a false impression that it is learning in certain states and using this learning to provide specific treatments. We use a working definition of personalization and introduce a resampling-based methodology for investigating whether the personalization exhibited by the RL algorithm is an artifact of the RL algorithm stochasticity. We illustrate our methodology with a case study by analyzing the data from a physical activity clinical trial called HeartSteps, which included the use of an online RL algorithm. We demonstrate how our approach enhances data-driven truth-in-advertising of algorithm personalization both across all users as well as within specific users in the study.

Jane Dwivedi-Yu, Raaz Dwivedi, Timo Schick · harvard, mit

The accurate evaluation of differential treatment in language models to specific groups is critical to ensuring a positive and safe user experience. An ideal evaluation should have the properties of being robust, extendable to new groups or attributes, and being able to capture biases that appear in typical usage (rather than just extreme, rare cases). Relatedly, bias evaluation should surface not only egregious biases but also ones that are subtle and commonplace, such as a likelihood for talking about appearances with regard to women. We present FairPair, an evaluation framework for assessing differential treatment that occurs during ordinary usage. FairPair operates through counterfactual pairs, but crucially, the paired continuations are grounded in the same demographic group, which ensures equivalent comparison. Additionally, unlike prior work, our method factors in the inherent variability that comes from the generation process itself by measuring the sampling variability. We present an evaluation of several commonly used generative models and a qualitative analysis that indicates a preference for discussing family and hobbies with regard to women.

Alberto Abadie, Anish Agarwal, Raaz Dwivedi et al. · harvard, mit

This article introduces a new estimator of average treatment effects under unobserved confounding in modern data-rich environments featuring large numbers of units and outcomes. The proposed estimator is doubly robust, combining outcome imputation, inverse probability weighting, and a novel cross-fitting procedure for matrix completion. We derive finite-sample and asymptotic guarantees, and show that the error of the new estimator converges to a mean-zero Gaussian distribution at a parametric rate. Simulation results demonstrate the relevance of the formal properties of the estimators analyzed in this article.

Lingxiao Li, Raaz Dwivedi, Lester Mackey · harvard, mit

Modern compression methods can summarize a target distribution $\mathbb{P}$ more succinctly than i.i.d. sampling but require access to a low-bias input sequence like a Markov chain converging quickly to $\mathbb{P}$. We introduce a new suite of compression methods suitable for compression with biased input sequences. Given $n$ points targeting the wrong distribution and quadratic time, Stein kernel thinning (SKT) returns $\sqrt{n}$ equal-weighted points with $\widetilde{O}(n^{-1/2})$ maximum mean discrepancy (MMD) to $\mathbb{P}$. For larger-scale compression tasks, low-rank SKT achieves the same feat in sub-quadratic time using an adaptive low-rank debiasing procedure that may be of independent interest. For downstream tasks that support simplex or constant-preserving weights, Stein recombination and Stein Cholesky achieve even greater parsimony, matching the guarantees of SKT with as few as $\text{poly-log}(n)$ weighted points. Underlying these advances are new guarantees for the quality of simplex-weighted coresets, the spectral decay of kernel matrices, and the covering numbers of Stein kernel Hilbert spaces. In our experiments, our techniques provide succinct and accurate posterior summaries while overcoming biases due to burn-in, approximate Markov chain Monte Carlo, and tempering.

Caleb Chin, Aashish Khubchandani, Harshvardhan Maskara et al. · harvard, mit

Nearest neighbor (NN) methods have re-emerged as competitive tools for matrix completion, offering strong empirical performance and recent theoretical guarantees, including entry-wise error bounds, confidence intervals, and minimax optimality. Despite their simplicity, recent work has shown that NN approaches are robust to a range of missingness patterns and effective across diverse applications. This paper introduces N$^2$, a unified Python package and testbed that consolidates a broad class of NN-based methods through a modular, extensible interface. Built for both researchers and practitioners, N$^2$ supports rapid experimentation and benchmarking. Using this framework, we introduce a new NN variant that achieves state-of-the-art results in several settings. We also release a benchmark suite of real-world datasets, from healthcare and recommender systems to causal inference and LLM evaluation, designed to stress-test matrix completion methods beyond synthetic scenarios. Our experiments demonstrate that while classical methods excel on idealized data, NN-based techniques consistently outperform them in real-world settings.

Tathagata Sadhukhan, Manit Paul, Raaz Dwivedi · harvard, mit

Nearest neighbor (NN) algorithms have been extensively used for missing data problems in recommender systems and sequential decision-making systems. Prior theoretical analysis has established favorable guarantees for NN when the underlying data is sufficiently smooth and the missingness probabilities are lower bounded. Here we analyze NN with non-smooth non-linear functions with vast amounts of missingness. In particular, we consider matrix completion settings where the entries of the underlying matrix follow a latent non-linear factor model, with the non-linearity belonging to a \Holder function class that is less smooth than Lipschitz. Our results establish following favorable properties for a suitable two-sided NN: (1) The mean squared error (MSE) of NN adapts to the smoothness of the non-linearity, (2) under certain regularity conditions, the NN error rate matches the rate obtained by an oracle equipped with the knowledge of both the row and column latent factors, and finally (3) NN's MSE is non-trivial for a wide range of settings even when several matrix entries might be missing deterministically. We support our theoretical findings via extensive numerical simulations and a case study with data from a mobile health study, HeartSteps.

Albert Gong, Kyuseong Choi, Raaz Dwivedi · harvard, mit

The kernel thinning algorithm of Dwivedi & Mackey (2024) provides a better-than-i.i.d. compression of a generic set of points. By generating high-fidelity coresets of size significantly smaller than the input points, KT is known to speed up unsupervised tasks like Monte Carlo integration, uncertainty quantification, and non-parametric hypothesis testing, with minimal loss in statistical accuracy. In this work, we generalize the KT algorithm to speed up supervised learning problems involving kernel methods. Specifically, we combine two classical algorithms--Nadaraya-Watson (NW) regression or kernel smoothing, and kernel ridge regression (KRR)--with KT to provide a quadratic speed-up in both training and inference times. We show how distribution compression with KT in each setting reduces to constructing an appropriate kernel, and introduce the Kernel-Thinned NW and Kernel-Thinned KRR estimators. We prove that KT-based regression estimators enjoy significantly superior computational efficiency over the full-data estimators and improved statistical efficiency over i.i.d. subsampling of the training data. En route, we also provide a novel multiplicative error guarantee for compressing with KT. We validate our design choices with both simulations and real data experiments.

Jacob Feitelberg, Kyuseong Choi, Anish Agarwal et al. · harvard, mit

We study the problem of distributional matrix completion: Given a sparsely observed matrix of empirical distributions, we seek to impute the true distributions associated with both observed and unobserved matrix entries. This is a generalization of traditional matrix completion, where the observations per matrix entry are scalar-valued. To do so, we utilize tools from optimal transport to generalize the nearest neighbors method to the distributional setting. Under a suitable latent factor model on probability distributions, we establish that our method recovers the distributions in the Wasserstein metric. We demonstrate through simulations that our method (i) provides better distributional estimates for an entry compared to using observed samples for that entry alone, (ii) yields accurate estimates of distributional quantities such as standard deviation and value-at-risk, and (iii) inherently supports heteroscedastic distributions. In addition, we demonstrate our method on a real-world dataset of quarterly earnings prediction distributions. We also prove novel asymptotic results for Wasserstein barycenters over one-dimensional distributions.

Tathagata Sadhukhan, Manit Paul, Raaz Dwivedi · harvard, mit

In this technical note, we introduce and analyze AWNN: an adaptively weighted nearest neighbor method for performing matrix completion. Nearest neighbor (NN) methods are widely used in missing data problems across multiple disciplines such as in recommender systems and for performing counterfactual inference in panel data settings. Prior works have shown that in addition to being very intuitive and easy to implement, NN methods enjoy nice theoretical guarantees. However, the performance of majority of the NN methods rely on the appropriate choice of the radii and the weights assigned to each member in the nearest neighbor set and despite several works on nearest neighbor methods in the past two decades, there does not exist a systematic approach of choosing the radii and the weights without relying on methods like cross-validation. AWNN addresses this challenge by judiciously balancing the bias variance trade off inherent in weighted nearest-neighbor regression. We provide theoretical guarantees for the proposed method under minimal assumptions and support the theory via synthetic experiments.

Kyuseong Choi, Jacob Feitelberg, Caleb Chin et al. · harvard, mit

Consider a setting with multiple units (e.g., individuals, cohorts, geographic locations) and outcomes (e.g., treatments, times, items), where the goal is to learn a multivariate distribution for each unit-outcome entry, such as the distribution of a user's weekly spend and engagement under a specific mobile app version. A common challenge is the prevalence of missing not at random data, where observations are available only for certain unit-outcome combinations and the observation availability can be correlated with the properties of distributions themselves, i.e., there is unobserved confounding. An additional challenge is that for any observed unit-outcome entry, we only have a finite number of samples from the underlying distribution. We tackle these two challenges by casting the problem into a novel distributional matrix completion framework and introduce a kernel based distributional generalization of nearest neighbors to estimate the underlying distributions. By leveraging maximum mean discrepancies and a suitable factor model on the kernel mean embeddings of the underlying distributions, we establish consistent recovery of the underlying distributions even when data is missing not at random and positivity constraints are violated. Furthermore, we demonstrate that our nearest neighbors approach is robust to heteroscedastic noise, provided we have access to two or more measurements for the observed unit-outcome entries, a robustness not present in prior works on nearest neighbors with single measurements.

Jacob Feitelberg, Dwaipayan Saha, Kyuseong Choi et al. · harvard, mit

Missing data is a pervasive problem in tabular settings. Existing solutions range from simple averaging to complex generative adversarial networks. However, due to huge variance in performance across real-world domains and time-consuming hyperparameter tuning, no default imputation method exists. Building on TabPFN, a recent tabular foundation model for supervised learning, we propose TabImpute, a pre-trained transformer that delivers accurate and fast zero-shot imputations requiring no fitting or hyperparameter tuning at inference-time. To train and evaluate TabImpute, we introduce (i) an entry-wise featurization for tabular settings, which enables a $100\times$ speedup over the previous TabPFN imputation method, (ii) a synthetic training data generation pipeline incorporating realistic missingness patterns, which boosts test-time performance, and (iii) MissBench, a comprehensive benchmark for evaluation of imputation methods with $42$ OpenML datasets and $13$ missingness patterns. MissBench spans domains such as medicine, finance, and engineering, showcasing TabImpute's robust performance compared to $11$ established imputation methods.

Annabelle Michael Carrell, Albert Gong, Abhishek Shetty et al. · harvard, mit

The goal in thinning is to summarize a dataset using a small set of representative points. Remarkably, sub-Gaussian thinning algorithms like Kernel Halving and Compress can match the quality of uniform subsampling while substantially reducing the number of summary points. However, existing guarantees cover only a restricted range of distributions and kernel-based quality measures and suffer from pessimistic dimension dependence. To address these deficiencies, we introduce a new low-rank analysis of sub-Gaussian thinning that applies to any distribution and any kernel, guaranteeing high-quality compression whenever the kernel or data matrix is approximately low-rank. To demonstrate the broad applicability of the techniques, we design practical sub-Gaussian thinning approaches that improve upon the best known guarantees for approximating attention in transformers, accelerating stochastic gradient training through reordering, and distinguishing distributions in near-linear time.

Raaz Dwivedi, Katherine Tian, Sabina Tomkins et al.

We consider after-study statistical inference for sequentially designed experiments wherein multiple units are assigned treatments for multiple time points using treatment policies that adapt over time. Our goal is to provide inference guarantees for the counterfactual mean at the smallest possible scale -- mean outcome under different treatments for each unit and each time -- with minimal assumptions on the adaptive treatment policy. Without any structural assumptions on the counterfactual means, this challenging task is infeasible due to more unknowns than observed data points. To make progress, we introduce a latent factor model over the counterfactual means that serves as a non-parametric generalization of the non-linear mixed effects model and the bilinear latent factor model considered in prior works. For estimation, we use a non-parametric method, namely a variant of nearest neighbors, and establish a non-asymptotic high probability error bound for the counterfactual mean for each unit and each time. Under regularity conditions, this bound leads to asymptotically valid confidence intervals for the counterfactual mean as the number of units and time points grows to $\infty$ together at suitable rates. We illustrate our theory via several simulations and a case study involving data from a mobile health clinical trial HeartSteps.

Abhishek Shetty, Raaz Dwivedi, Lester Mackey

In distribution compression, one aims to accurately summarize a probability distribution $\mathbb{P}$ using a small number of representative points. Near-optimal thinning procedures achieve this goal by sampling $n$ points from a Markov chain and identifying $\sqrt{n}$ points with $\widetilde{\mathcal{O}}(1/\sqrt{n})$ discrepancy to $\mathbb{P}$. Unfortunately, these algorithms suffer from quadratic or super-quadratic runtime in the sample size $n$. To address this deficiency, we introduce Compress++, a simple meta-procedure for speeding up any thinning algorithm while suffering at most a factor of $4$ in error. When combined with the quadratic-time kernel halving and kernel thinning algorithms of Dwivedi and Mackey (2021), Compress++ delivers $\sqrt{n}$ points with $\mathcal{O}(\sqrt{\log n/n})$ integration error and better-than-Monte-Carlo maximum mean discrepancy in $\mathcal{O}(n \log^3 n)$ time and $\mathcal{O}( \sqrt{n} \log^2 n )$ space. Moreover, Compress++ enjoys the same near-linear runtime given any quadratic-time input and reduces the runtime of super-quadratic algorithms by a square-root factor. In our benchmarks with high-dimensional Monte Carlo samples and Markov chains targeting challenging differential equation posteriors, Compress++ matches or nearly matches the accuracy of its input algorithm in orders of magnitude less time.

Raaz Dwivedi, Lester Mackey

The kernel thinning (KT) algorithm of Dwivedi and Mackey (2021) compresses a probability distribution more effectively than independent sampling by targeting a reproducing kernel Hilbert space (RKHS) and leveraging a less smooth square-root kernel. Here we provide four improvements. First, we show that KT applied directly to the target RKHS yields tighter, dimension-free guarantees for any kernel, any distribution, and any fixed function in the RKHS. Second, we show that, for analytic kernels like Gaussian, inverse multiquadric, and sinc, target KT admits maximum mean discrepancy (MMD) guarantees comparable to or better than those of square-root KT without making explicit use of a square-root kernel. Third, we prove that KT with a fractional power kernel yields better-than-Monte-Carlo MMD guarantees for non-smooth kernels, like Laplace and Matérn, that do not have square-roots. Fourth, we establish that KT applied to a sum of the target and power kernels (a procedure we call KT+) simultaneously inherits the improved MMD guarantees of power KT and the tighter individual function guarantees of target KT. In our experiments with target KT and KT+, we witness significant improvements in integration error even in $100$ dimensions and when compressing challenging differential equation posteriors.

Raaz Dwivedi, Lester Mackey

We introduce kernel thinning, a new procedure for compressing a distribution $\mathbb{P}$ more effectively than i.i.d. sampling or standard thinning. Given a suitable reproducing kernel $\mathbf{k}_{\star}$ and $O(n^2)$ time, kernel thinning compresses an $n$-point approximation to $\mathbb{P}$ into a $\sqrt{n}$-point approximation with comparable worst-case integration error across the associated reproducing kernel Hilbert space. The maximum discrepancy in integration error is $O_d(n^{-1/2}\sqrt{\log n})$ in probability for compactly supported $\mathbb{P}$ and $O_d(n^{-\frac{1}{2}} (\log n)^{(d+1)/2}\sqrt{\log\log n})$ for sub-exponential $\mathbb{P}$ on $\mathbb{R}^d$. In contrast, an equal-sized i.i.d. sample from $\mathbb{P}$ suffers $Ω(n^{-1/4})$ integration error. Our sub-exponential guarantees resemble the classical quasi-Monte Carlo error rates for uniform $\mathbb{P}$ on $[0,1]^d$ but apply to general distributions on $\mathbb{R}^d$ and a wide range of common kernels. Moreover, the same construction delivers near-optimal $L^\infty$ coresets in $O(n^2)$ time. We use our results to derive explicit non-asymptotic maximum mean discrepancy bounds for Gaussian, Matérn, and B-spline kernels and present two vignettes illustrating the practical benefits of kernel thinning over i.i.d. sampling and standard Markov chain Monte Carlo thinning, in dimensions $d=2$ through $100$.

Raaz Dwivedi, Yan Shuo Tan, Briton Park et al.

Building on Yu and Kumbier's PCS framework and for randomized experiments, we introduce a novel methodology for Stable Discovery of Interpretable Subgroups via Calibration (StaDISC), with large heterogeneous treatment effects. StaDISC was developed during our re-analysis of the 1999-2000 VIGOR study, an 8076 patient randomized controlled trial (RCT), that compared the risk of adverse events from a then newly approved drug, Rofecoxib (Vioxx), to that from an older drug Naproxen. Vioxx was found to, on average and in comparison to Naproxen, reduce the risk of gastrointestinal (GI) events but increase the risk of thrombotic cardiovascular (CVT) events. Applying StaDISC, we fit 18 popular conditional average treatment effect (CATE) estimators for both outcomes and use calibration to demonstrate their poor global performance. However, they are locally well-calibrated and stable, enabling the identification of patient groups with larger than (estimated) average treatment effects. In fact, StaDISC discovers three clinically interpretable subgroups each for the GI outcome (totaling 29.4% of the study size) and the CVT outcome (totaling 11.0%). Complementary analyses of the found subgroups using the 2001-2004 APPROVe study, a separate independently conducted RCT with 2587 patients, provides further supporting evidence for the promise of StaDISC.

Raaz Dwivedi, Chandan Singh, Bin Yu et al.

Complexity is a fundamental concept underlying statistical learning theory that aims to inform generalization performance. Parameter count, while successful in low-dimensional settings, is not well-justified for overparameterized settings when the number of parameters is more than the number of training samples. We revisit complexity measures based on Rissanen's principle of minimum description length (MDL) and define a novel MDL-based complexity (MDL-COMP) that remains valid for overparameterized models. MDL-COMP is defined via an optimality criterion over the encodings induced by a good Ridge estimator class. We provide an extensive theoretical characterization of MDL-COMP for linear models and kernel methods and show that it is not just a function of parameter count, but rather a function of the singular values of the design or the kernel matrix and the signal-to-noise ratio. For a linear model with $n$ observations, $d$ parameters, and i.i.d. Gaussian predictors, MDL-COMP scales linearly with $d$ when $d<n$, but the scaling is exponentially smaller -- $\log d$ for $d>n$. For kernel methods, we show that MDL-COMP informs minimax in-sample error, and can decrease as the dimensionality of the input increases. We also prove that MDL-COMP upper bounds the in-sample mean squared error (MSE). Via an array of simulations and real-data experiments, we show that a data-driven Prac-MDL-COMP informs hyper-parameter tuning for optimizing test MSE with ridge regression in limited data settings, sometimes improving upon cross-validation and (always) saving computational costs. Finally, our findings also suggest that the recently observed double decent phenomenons in overparameterized models might be a consequence of the choice of non-ideal estimators.

Nhat Ho, Koulik Khamaru, Raaz Dwivedi et al.

Many statistical estimators are defined as the fixed point of a data-dependent operator, with estimators based on minimizing a cost function being an important special case. The limiting performance of such estimators depends on the properties of the population-level operator in the idealized limit of infinitely many samples. We develop a general framework that yields bounds on statistical accuracy based on the interplay between the deterministic convergence rate of the algorithm at the population level, and its degree of (in)stability when applied to an empirical object based on $n$ samples. Using this framework, we analyze both stable forms of gradient descent and some higher-order and unstable algorithms, including Newton's method and its cubic-regularized variant, as well as the EM algorithm. We provide applications of our general results to several concrete classes of models, including Gaussian mixture estimation, non-linear regression models, and informative non-response models. We exhibit cases in which an unstable algorithm can achieve the same statistical accuracy as a stable algorithm in exponentially fewer steps -- namely, with the number of iterations being reduced from polynomial to logarithmic in sample size $n$.

Nick Altieri, Rebecca L. Barter, James Duncan et al.

As the COVID-19 outbreak evolves, accurate forecasting continues to play an extremely important role in informing policy decisions. In this paper, we present our continuous curation of a large data repository containing COVID-19 information from a range of sources. We use this data to develop predictions and corresponding prediction intervals for the short-term trajectory of COVID-19 cumulative death counts at the county-level in the United States up to two weeks ahead. Using data from January 22 to June 20, 2020, we develop and combine multiple forecasts using ensembling techniques, resulting in an ensemble we refer to as Combined Linear and Exponential Predictors (CLEP). Our individual predictors include county-specific exponential and linear predictors, a shared exponential predictor that pools data together across counties, an expanded shared exponential predictor that uses data from neighboring counties, and a demographics-based shared exponential predictor. We use prediction errors from the past five days to assess the uncertainty of our death predictions, resulting in generally-applicable prediction intervals, Maximum (absolute) Error Prediction Intervals (MEPI). MEPI achieves a coverage rate of more than 94% when averaged across counties for predicting cumulative recorded death counts two weeks in the future. Our forecasts are currently being used by the non-profit organization, Response4Life, to determine the medical supply need for individual hospitals and have directly contributed to the distribution of medical supplies across the country. We hope that our forecasts and data repository at https://covidseverity.com can help guide necessary county-specific decision-making and help counties prepare for their continued fight against COVID-19.

Yuansi Chen, Raaz Dwivedi, Martin J. Wainwright et al.

Hamiltonian Monte Carlo (HMC) is a state-of-the-art Markov chain Monte Carlo sampling algorithm for drawing samples from smooth probability densities over continuous spaces. We study the variant most widely used in practice, Metropolized HMC with the Störmer-Verlet or leapfrog integrator, and make two primary contributions. First, we provide a non-asymptotic upper bound on the mixing time of the Metropolized HMC with explicit choices of step-size and number of leapfrog steps. This bound gives a precise quantification of the faster convergence of Metropolized HMC relative to simpler MCMC algorithms such as the Metropolized random walk, or Metropolized Langevin algorithm. Second, we provide a general framework for sharpening mixing time bounds of Markov chains initialized at a substantial distance from the target distribution over continuous spaces. We apply this sharpening device to the Metropolized random walk and Langevin algorithms, thereby obtaining improved mixing time bounds from a non-warm initial distribution.

Raaz Dwivedi, Nhat Ho, Koulik Khamaru et al.

We study a class of weakly identifiable location-scale mixture models for which the maximum likelihood estimates based on $n$ i.i.d. samples are known to have lower accuracy than the classical $n^{- \frac{1}{2}}$ error. We investigate whether the Expectation-Maximization (EM) algorithm also converges slowly for these models. We provide a rigorous characterization of EM for fitting a weakly identifiable Gaussian mixture in a univariate setting where we prove that the EM algorithm converges in order $n^{\frac{3}{4}}$ steps and returns estimates that are at a Euclidean distance of order ${ n^{- \frac{1}{8}}}$ and ${ n^{-\frac{1} {4}}}$ from the true location and scale parameter respectively. Establishing the slow rates in the univariate setting requires a novel localization argument with two stages, with each stage involving an epoch-based argument applied to a different surrogate EM operator at the population level. We demonstrate several multivariate ($d \geq 2$) examples that exhibit the same slow rates as the univariate case. We also prove slow statistical rates in higher dimensions in a special case, when the fitted covariance is constrained to be a multiple of the identity.

Raaz Dwivedi, Nhat Ho, Koulik Khamaru et al.

A line of recent work has analyzed the behavior of the Expectation-Maximization (EM) algorithm in the well-specified setting, in which the population likelihood is locally strongly concave around its maximizing argument. Examples include suitably separated Gaussian mixture models and mixtures of linear regressions. We consider over-specified settings in which the number of fitted components is larger than the number of components in the true distribution. Such misspecified settings can lead to singularity in the Fisher information matrix, and moreover, the maximum likelihood estimator based on $n$ i.i.d. samples in $d$ dimensions can have a non-standard $\mathcal{O}((d/n)^{\frac{1}{4}})$ rate of convergence. Focusing on the simple setting of two-component mixtures fit to a $d$-dimensional Gaussian distribution, we study the behavior of the EM algorithm both when the mixture weights are different (unbalanced case), and are equal (balanced case). Our analysis reveals a sharp distinction between these two cases: in the former, the EM algorithm converges geometrically to a point at Euclidean distance of $\mathcal{O}((d/n)^{\frac{1}{2}})$ from the true parameter, whereas in the latter case, the convergence rate is exponentially slower, and the fixed point has a much lower $\mathcal{O}((d/n)^{\frac{1}{4}})$ accuracy. Analysis of this singular case requires the introduction of some novel techniques: in particular, we make use of a careful form of localization in the associated empirical process, and develop a recursive argument to progressively sharpen the statistical rate.

Raaz Dwivedi, Yuansi Chen, Martin J. Wainwright et al.

We consider the problem of sampling from a strongly log-concave density in $\mathbb{R}^d$, and prove a non-asymptotic upper bound on the mixing time of the Metropolis-adjusted Langevin algorithm (MALA). The method draws samples by simulating a Markov chain obtained from the discretization of an appropriate Langevin diffusion, combined with an accept-reject step. Relative to known guarantees for the unadjusted Langevin algorithm (ULA), our bounds show that the use of an accept-reject step in MALA leads to an exponentially improved dependence on the error-tolerance. Concretely, in order to obtain samples with TV error at most $δ$ for a density with condition number $κ$, we show that MALA requires $\mathcal{O} \big(κd \log(1/δ) \big)$ steps, as compared to the $\mathcal{O} \big(κ^2 d/δ^2 \big)$ steps established in past work on ULA. We also demonstrate the gains of MALA over ULA for weakly log-concave densities. Furthermore, we derive mixing time bounds for the Metropolized random walk (MRW) and obtain $\mathcal{O}(κ)$ mixing time slower than MALA. We provide numerical examples that support our theoretical findings, and demonstrate the benefits of Metropolis-Hastings adjustment for Langevin-type sampling algorithms.

Yuansi Chen, Raaz Dwivedi, Martin J. Wainwright et al.

We propose and analyze two new MCMC sampling algorithms, the Vaidya walk and the John walk, for generating samples from the uniform distribution over a polytope. Both random walks are sampling algorithms derived from interior point methods. The former is based on volumetric-logarithmic barrier introduced by Vaidya whereas the latter uses John's ellipsoids. We show that the Vaidya walk mixes in significantly fewer steps than the logarithmic-barrier based Dikin walk studied in past work. For a polytope in $\mathbb{R}^d$ defined by $n >d$ linear constraints, we show that the mixing time from a warm start is bounded as $\mathcal{O}(n^{0.5}d^{1.5})$, compared to the $\mathcal{O}(nd)$ mixing time bound for the Dikin walk. The cost of each step of the Vaidya walk is of the same order as the Dikin walk, and at most twice as large in terms of constant pre-factors. For the John walk, we prove an $\mathcal{O}(d^{2.5}\cdot\log^4(n/d))$ bound on its mixing time and conjecture that an improved variant of it could achieve a mixing time of $\mathcal{O}(d^2\cdot\text{polylog}(n/d))$. Additionally, we propose variants of the Vaidya and John walks that mix in polynomial time from a deterministic starting point. The speed-up of the Vaidya walk over the Dikin walk are illustrated in numerical examples.