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 Statistical Learning


Central Limit Theorem for ergodic averages of Markov chains \& the comparison of sampling algorithms for heavy-tailed distributions

arXiv.org Machine Learning

Establishing central limit theorems (CLTs) for ergodic averages of Markov chains is a fundamental problem in probability and its applications. Since the seminal work~\cite{MR834478}, a vast literature has emerged on the sufficient conditions for such CLTs. To counterbalance this, the present paper provides verifiable necessary conditions for CLTs of ergodic averages of Markov chains on general state spaces. Our theory is based on drift conditions, which also yield lower bounds on the rates of convergence to stationarity in various metrics. The validity of the ergodic CLT is of particular importance for sampling algorithms, where it underpins the error analysis of estimators in Bayesian statistics and machine learning. Although heavy-tailed sampling is of central importance in applications, the characterisation of the CLT and the convergence rates are theoretically poorly understood for almost all practically-used Markov chain Monte Carlo (MCMC) algorithms. In this setting our results provide sharp conditions on the validity of the ergodic CLT and establish convergence rates for large families of MCMC sampling algorithms for heavy-tailed targets. Our study includes a rather complete analyses for random walk Metropolis samplers (with finite- and infinite-variance proposals), Metropolis-adjusted and unadjusted Langevin algorithms and the stereographic projection sampler (as well as the independence sampler). By providing these sharp results via our practical drift conditions, our theory offers significant insights into the problems of algorithm selection and comparison for sampling heavy-tailed distributions (see short YouTube presentations~\cite{YouTube_talk} describing our \href{https://youtu.be/m2y7U4cEqy4}{\underline{theory}} and \href{https://youtu.be/w8I_oOweuko}{\underline{applications}}).


Causal Inference as Distribution Adaptation: Optimizing ATE Risk under Propensity Uncertainty

arXiv.org Machine Learning

Standard approaches to causal inference, such as Outcome Regression and Inverse Probability Weighted Regression Adjustment (IPWRA), are typically derived through the lens of missing data imputation and identification theory. In this work, we unify these methods from a Machine Learning perspective, reframing ATE estimation as a \textit{domain adaptation problem under distribution shift}. We demonstrate that the canonical Hajek estimator is a special case of IPWRA restricted to a constant hypothesis class, and that IPWRA itself is fundamentally Importance-Weighted Empirical Risk Minimization designed to correct for the covariate shift between the treated sub-population and the target population. Leveraging this unified framework, we critically examine the optimization objectives of Doubly Robust estimators. We argue that standard methods enforce \textit{sufficient but not necessary} conditions for consistency by requiring outcome models to be individually unbiased. We define the true "ATE Risk Function" and show that minimizing it requires only that the biases of the treated and control models structurally cancel out. Exploiting this insight, we propose the \textbf{Joint Robust Estimator (JRE)}. Instead of treating propensity estimation and outcome modeling as independent stages, JRE utilizes bootstrap-based uncertainty quantification of the propensity score to train outcome models jointly. By optimizing for the expected ATE risk over the distribution of propensity scores, JRE leverages model degrees of freedom to achieve robustness against propensity misspecification. Simulation studies demonstrate that JRE achieves up to a 15\% reduction in MSE compared to standard IPWRA in finite-sample regimes with misspecified outcome models.


Sampling from multimodal distributions with warm starts: Non-asymptotic bounds for the Reweighted Annealed Leap-Point Sampler

arXiv.org Machine Learning

Sampling from multimodal distributions is a central challenge in Bayesian inference and machine learning. In light of hardness results for sampling -- classical MCMC methods, even with tempering, can suffer from exponential mixing times -- a natural question is how to leverage additional information, such as a warm start point for each mode, to enable faster mixing across modes. To address this, we introduce Reweighted ALPS (Re-ALPS), a modified version of the Annealed Leap-Point Sampler (ALPS) that dispenses with the Gaussian approximation assumption. We prove the first polynomial-time bound that works in a general setting, under a natural assumption that each component contains significant mass relative to the others when tilted towards the corresponding warm start point. Similarly to ALPS, we define distributions tilted towards a mixture centered at the warm start points, and at the coldest level, use teleportation between warm start points to enable efficient mixing across modes. In contrast to ALPS, our method does not require Hessian information at the modes, but instead estimates component partition functions via Monte Carlo. This additional estimation step is crucial in allowing the algorithm to handle target distributions with more complex geometries besides approximate Gaussian. For the proof, we show convergence results for Markov processes when only part of the stationary distribution is well-mixing and estimation for partition functions for individual components of a mixture. We numerically evaluate our algorithm's mixing performance compared to ALPS on a mixture of heavy-tailed distributions.


Universality of high-dimensional scaling limits of stochastic gradient descent

arXiv.org Machine Learning

We consider statistical tasks in high dimensions whose loss depends on the data only through its projection into a fixed-dimensional subspace spanned by the parameter vectors and certain ground truth vectors. This includes classifying mixture distributions with cross-entropy loss with one and two-layer networks, and learning single and multi-index models with one and two-layer networks. When the data is drawn from an isotropic Gaussian mixture distribution, it is known that the evolution of a finite family of summary statistics under stochastic gradient descent converges to an autonomous ordinary differential equation (ODE), as the dimension and sample size go to $\infty$ and the step size goes to $0$ commensurately. Our main result is that these ODE limits are universal in that this limit is the same whenever the data is drawn from mixtures of arbitrary product distributions whose first two moments match the corresponding Gaussian distribution, provided the initialization and ground truth vectors are coordinate-delocalized. We complement this by proving two corresponding non-universality results. We provide a simple example where the ODE limits are non-universal if the initialization is coordinate aligned. We also show that the stochastic differential equation limits arising as fluctuations of the summary statistics around their ODE's fixed points are not universal.


Stopping Rules for Stochastic Gradient Descent via Anytime-Valid Confidence Sequences

arXiv.org Machine Learning

We study stopping rules for stochastic gradient descent (SGD) for convex optimization from the perspective of anytime-valid confidence sequences. Classical analyses of SGD provide convergence guarantees in expectation or at a fixed horizon, but offer no statistically valid way to assess, at an arbitrary time, how close the current iterate is to the optimum. We develop an anytime-valid, data-dependent upper confidence sequence for the weighted average suboptimality of projected SGD, constructed via nonnegative supermartingales and requiring no smoothness or strong convexity. This confidence sequence yields a simple stopping rule that is provably $\varepsilon$-optimal with probability at least $1-α$, with explicit bounds on the stopping time under standard stochastic approximation stepsizes. To the best of our knowledge, these are the first rigorous, time-uniform performance guarantees and finite-time $\varepsilon$-optimality certificates for projected SGD with general convex objectives, based solely on observable trajectory quantities.


Neural CDEs as Correctors for Learned Time Series Models

arXiv.org Machine Learning

Learned time-series models, whether continuous-or discrete-time, are widely used to forecast the states of a dynamical system. Such models generate multi-step forecasts either directly, by predicting the full horizon at once, or iteratively, by feeding back their own predictions at each step. In both cases, the multi-step forecasts are prone to errors. To address this, we propose a Predictor-Corrector mechanism where the Predictor is any learned time-series model and the Corrector is a neural controlled differential equation. The Predictor forecasts, and the Corrector predicts the errors of the forecasts. Adding these errors to the forecasts improves forecast performance. The proposed Corrector works with irregularly sampled time series and continuous-and discrete-time Predictors. Additionally, we introduce two regularization strategies to improve the extrapolation performance of the Corrector with accelerated training. We evaluate our Corrector with diverse Predictors, e.g., neural ordinary differential equations, Contiformer, and DLinear, on synthetic, physics simulation, and real-world forecasting datasets. The experiments demonstrate that the Predictor-Corrector mechanism consistently improves the performance compared to Predictor alone. Learning time-series models from such datasets has applications ranging from energy demand forecasting, traffic and mobility prediction, weather prediction, anomaly detection, and decision-making in robotics (Zeng et al., 2022; Li et al., 2017; Stankeviciute et al., 2021; Xu et al., 2021; Chua et al., 2018). Several works focused on learning time-series models from data. There are at least two ways to train such models. Early studies focused on training the model to predict one step ahead (Basharat & Shah, 2009; Khansari-Zadeh & Billard, 2011).


Regularized Random Fourier Features and Finite Element Reconstruction for Operator Learning in Sobolev Space

arXiv.org Machine Learning

Operator learning is a data-driven approximation of mappings between infinite-dimensional function spaces, such as the solution operators of partial differential equations. Kernel-based operator learning can offer accurate, theoretically justified approximations that require less training than standard methods. However, they can become computationally prohibitive for large training sets and can be sensitive to noise. We propose a regularized random Fourier feature (RRFF) approach, coupled with a finite element reconstruction map (RRFF-FEM), for learning operators from noisy data. The method uses random features drawn from multivariate Student's $t$ distributions, together with frequency-weighted Tikhonov regularization that suppresses high-frequency noise. We establish high-probability bounds on the extreme singular values of the associated random feature matrix and show that when the number of features $N$ scales like $m \log m$ with the number of training samples $m$, the system is well-conditioned, which yields estimation and generalization guarantees. Detailed numerical experiments on benchmark PDE problems, including advection, Burgers', Darcy flow, Helmholtz, Navier-Stokes, and structural mechanics, demonstrate that RRFF and RRFF-FEM are robust to noise and achieve improved performance with reduced training time compared to the unregularized random feature model, while maintaining competitive accuracy relative to kernel and neural operator tests.


Towards Sharp Minimax Risk Bounds for Operator Learning

arXiv.org Machine Learning

A new paradigm in machine learning for scientific computing is focused on designing learning algorithms and methods for continuum problems. This paradigm is referred to as operator learning and has received considerable interest in the last few years [5,7,18,20,23-25,27,30,34,36]. The basic task may be posed as learning a map between infinite-dimensional function spaces, i.e., learning an operator F: X Y, where, for example, X and Y are real, separable Hilbert spaces. Operator learning naturally arises in many scientific problems where one wants to learn how a continuum model, often described by partial differential equations (PDEs), maps inputs, such as parameters or boundary conditions, to outputs, such as states or observables. A prototypical example to keep in mind is learning parameter-to-solution maps of parametric PDEs [1,2,11]. In contrast to more classical surrogate modeling, which typically focuses on learning finite-dimensional parameter-to-solution maps for some fixed discretization, operator learning directly aims to learn/approximate the continuum map F: X Y itself. Thus, the inputs and outputs are functions (not vectors) and the goal is to directly design discretization-invariant methods [7,23]. From a statistical perspective, this naturally leads to a nonparametric regression problem in which both the object of interest (the operator) and the observations (finite number of noisy samples) are infinite-dimensional.


Imputation Uncertainty in Interpretable Machine Learning Methods

arXiv.org Machine Learning

In real data, missing values occur frequently, which affects the interpretation with interpretable machine learning (IML) methods. Recent work considers bias and shows that model explanations may differ between imputation methods, while ignoring additional imputation uncertainty and its influence on variance and confidence intervals. We therefore compare the effects of different imputation methods on the confidence interval coverage probabilities of the IML methods permutation feature importance, partial dependence plots and Shapley values. We show that single imputation leads to underestimation of variance and that, in most cases, only multiple imputation is close to nominal coverage.


Fast and Robust: Computationally Efficient Covariance Estimation for Sub-Weibull Vectors

arXiv.org Machine Learning

High-dimensional covariance estimation is notoriously sensitive to outliers. While statistically optimal estimators exist for general heavy-tailed distributions, they often rely on computationally expensive techniques like semidefinite programming or iterative M-estimation ($O(d^3)$). In this work, we target the specific regime of \textbf{Sub-Weibull distributions} (characterized by stretched exponential tails $\exp(-t^α)$). We investigate a computationally efficient alternative: the \textbf{Cross-Fitted Norm-Truncated Estimator}. Unlike element-wise truncation, our approach preserves the spectral geometry while requiring $O(Nd^2)$ operations, which represents the theoretical lower bound for constructing a full covariance matrix. Although spherical truncation is geometrically suboptimal for anisotropic data, we prove that within the Sub-Weibull class, the exponential tail decay compensates for this mismatch. Leveraging weighted Hanson-Wright inequalities, we derive non-asymptotic error bounds showing that our estimator recovers the optimal sub-Gaussian rate $\tilde{O}(\sqrt{r(Σ)/N})$ with high probability. This provides a scalable solution for high-dimensional data that exhibits tails heavier than Gaussian but lighter than polynomial decay.