Functional linear and single-index models are core regression methods in functional data analysis and are widely used methods for performing regression when the covariates are observed random functions coupled with scalar responses in a wide range of applications. In the existing literature, however, the construction of associated estimators and the study of their theoretical properties is invariably carried out on a case-by-case basis for specific models under consideration. In this work, we provide a unified methodological and theoretical framework for estimating the index in functional linear and single-index models; in the later case the proposed approach does not require the specification of the link function. In terms of methodology, we show that the reproducing kernel Hilbert space (RKHS) based functional linear least-squares estimator, when viewed through the lens of an infinite-dimensional Gaussian Stein's identity, also provides an estimator of the index of the single-index model. On the theoretical side, we characterize the convergence rates of the proposed estimators for both linear and single-index models. Our analysis has several key advantages: (i) we do not require restrictive commutativity assumptions for the covariance operator of the random covariates on one hand and the integral operator associated with the reproducing kernel on the other hand; and (ii) we also allow for the true index parameter to lie outside of the chosen RKHS, thereby allowing for index mis-specification as well as for quantifying the degree of such index mis-specification. Several existing results emerge as special cases of our analysis.
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Stochastic gradient algorithms are widely used for both optimization and sampling in large-scale learning and inference problems. However, in practice, tuning these algorithms is typically done using heuristics and trial-and-error rather than rigorous, generalizable theory. To address this gap between theory and practice, we novel insights into the effect of tuning parameters by characterizing the large-sample behavior of iterates of a very general class of preconditioned stochastic gradient algorithms with fixed step size. In the optimization setting, our results show that iterate averaging with a large fixed step size can result in statistically efficient approximation of the (local) M-estimator. In the sampling context, our results show that with appropriate choices of tuning parameters, the limiting stationary covariance can match either the Bernstein--von Mises limit of the posterior, adjustments to the posterior for model misspecification, or the asymptotic distribution of the MLE; and that with a naive tuning the limit corresponds to none of these. Moreover, we argue that an essentially independent sample from the stationary distribution can be obtained after a fixed number of passes over the dataset. We validate our asymptotic results in realistic finite-sample regimes via several experiments using simulated and real data. Overall, we demonstrate that properly tuned stochastic gradient algorithms with constant step size offer a computationally efficient and statistically robust approach to obtaining point estimates or posterior-like samples.
We study \textit{rescaled gradient dynamical systems} in a Hilbert space $\mathcal{H}$, where implicit discretization in a finite-dimensional Euclidean space leads to high-order methods for solving monotone equations (MEs). Our framework can be interpreted as a natural generalization of celebrated dual extrapolation method~\citep{Nesterov-2007-Dual} from first order to high order via appeal to the regularization toolbox of optimization theory~\citep{Nesterov-2021-Implementable, Nesterov-2021-Inexact}. More specifically, we establish the existence and uniqueness of a global solution and analyze the convergence properties of solution trajectories. We also present discrete-time counterparts of our high-order continuous-time methods, and we show that the $p^{th}$-order method achieves an ergodic rate of $O(k^{-(p+1)/2})$ in terms of a restricted merit function and a pointwise rate of $O(k^{-p/2})$ in terms of a residue function. Under regularity conditions, the restarted version of $p^{th}$-order methods achieves local convergence with the order $p \geq 2$. Notably, our methods are \textit{optimal} since they have matched the lower bound established for solving the monotone equation problems under a standard linear span assumption~\citep{Lin-2022-Perseus}.
This paper settles an open and challenging question pertaining to the design of simple high-order regularization methods for solving smooth and monotone variational inequalities (VIs). A VI involves finding $x^\star \in \mathcal{X}$ such that $\langle F(x), x - x^\star\rangle \geq 0$ for all $x \in \mathcal{X}$ and we consider the setting where $F: \mathbb{R}^d \mapsto \mathbb{R}^d$ is smooth with up to $(p-1)^{th}$-order derivatives. For $p = 2$,~\citet{Nesterov-2006-Constrained} extended the cubic regularized Newton's method to VIs with a global rate of $O(\epsilon^{-1})$.~\citet{Monteiro-2012-Iteration} proposed another second-order method which achieved an improved rate of $O(\epsilon^{-2/3}\log(1/\epsilon))$, but this method required a nontrivial binary search procedure as an inner loop. High-order methods based on similar binary search procedures have been further developed and shown to achieve a rate of $O(\epsilon^{-2/(p+1)}\log(1/\epsilon))$. However, such search procedure can be computationally prohibitive in practice and the problem of finding a simple high-order regularization methods remains as an open and challenging question in optimization theory. We propose a $p^{th}$-order method that does \textit{not} require any binary search procedure and prove that it can converge to a weak solution at a global rate of $O(\epsilon^{-2/(p+1)})$. A lower bound of $\Omega(\epsilon^{-2/(p+1)})$ is also established to show that our method is optimal in the monotone setting. A version with restarting attains a global linear and local superlinear convergence rate for smooth and strongly monotone VIs. Moreover, our method can achieve a global rate of $O(\epsilon^{-2/p})$ for solving smooth and non-monotone VIs satisfying the Minty condition; moreover, the restarted version again attains a global linear and local superlinear convergence rate if the strong Minty condition holds.
Recent works in bandit problems adopted lasso convergence theory in the sequential decision-making setting. Even with fully observed contexts, there are technical challenges that hinder the application of existing lasso convergence theory: 1) proving the restricted eigenvalue condition under conditionally sub-Gaussian noise and 2) accounting for the dependence between the context variables and the chosen actions. This paper studies the effect of missing covariates on regret for stochastic linear bandit algorithms. Our work provides a high-probability upper bound on the regret incurred by the proposed algorithm in terms of covariate sampling probabilities, showing that the regret degrades due to missingness by at most $\zeta_{min}^2$, where $\zeta_{min}$ is the minimum probability of observing covariates in the context vector. We illustrate our algorithm for the practical application of experimental design for collecting gene expression data by a sequential selection of class discriminating DNA probes.
We study the problem of learning nonparametric distributions in a finite mixture, and establish tight bounds on the sample complexity for learning the component distributions in such models. Namely, we are given i.i.d. samples from a pdf $f$ where $$ f=\sum_{i=1}^k w_i f_i, \quad\sum_{i=1}^k w_i=1, \quad w_i>0 $$ and we are interested in learning each component $f_i$. Without any assumptions on $f_i$, this problem is ill-posed. In order to identify the components $f_i$, we assume that each $f_i$ can be written as a convolution of a Gaussian and a compactly supported density $\nu_i$ with $\text{supp}(\nu_i)\cap \text{supp}(\nu_j)=\emptyset$. Our main result shows that $(\frac{1}{\varepsilon})^{\Omega(\log\log \frac{1}{\varepsilon})}$ samples are required for estimating each $f_i$. Unlike parametric mixtures, the difficulty does not arise from the order $k$ or small weights $w_i$, and unlike nonparametric density estimation it does not arise from the curse of dimensionality, irregularity, or inhomogeneity. The proof relies on a fast rate for approximation with Gaussians, which may be of independent interest. To show this is tight, we also propose an algorithm that uses $(\frac{1}{\varepsilon})^{O(\log\log \frac{1}{\varepsilon})}$ samples to estimate each $f_i$. Unlike existing approaches to learning latent variable models based on moment-matching and tensor methods, our proof instead involves a delicate analysis of an ill-conditioned linear system via orthogonal functions. Combining these bounds, we conclude that the optimal sample complexity of this problem properly lies in between polynomial and exponential, which is not common in learning theory.
Multiple Tensor-Times-Matrix (Multi-TTM) is a key computation in algorithms for computing and operating with the Tucker tensor decomposition, which is frequently used in multidimensional data analysis. We establish communication lower bounds that determine how much data movement is required to perform the Multi-TTM computation in parallel. The crux of the proof relies on analytically solving a constrained, nonlinear optimization problem. We also present a parallel algorithm to perform this computation that organizes the processors into a logical grid with twice as many modes as the input tensor. We show that with correct choices of grid dimensions, the communication cost of the algorithm attains the lower bounds and is therefore communication optimal. Finally, we show that our algorithm can significantly reduce communication compared to the straightforward approach of expressing the computation as a sequence of tensor-times-matrix operations.
In this work we are interested in general linear inverse problems where the corresponding forward problem is solved iteratively using fixed point methods. Then one-shot methods, which iterate at the same time on the forward problem solution and on the inverse problem unknown, can be applied. We analyze two variants of the so-called multi-step one-shot methods and establish sufficient conditions on the descent step for their convergence, by studying the eigenvalues of the block matrix of the coupled iterations. Several numerical experiments are provided to illustrate the convergence of these methods in comparison with the classical usual and shifted gradient descent. In particular, we observe that very few inner iterations on the forward problem are enough to guarantee good convergence of the inversion algorithm.
Heterogeneity is a dominant factor in the behaviour of many biological processes. Despite this, it is common for mathematical and statistical analyses to ignore biological heterogeneity as a source of variability in experimental data. Therefore, methods for exploring the identifiability of models that explicitly incorporate heterogeneity through variability in model parameters are relatively underdeveloped. We develop a new likelihood-based framework, based on moment matching, for inference and identifiability analysis of differential equation models that capture biological heterogeneity through parameters that vary according to probability distributions. As our novel method is based on an approximate likelihood function, it is highly flexible; we demonstrate identifiability analysis using both a frequentist approach based on profile likelihood, and a Bayesian approach based on Markov-chain Monte Carlo. Through three case studies, we demonstrate our method by providing a didactic guide to inference and identifiability analysis of hyperparameters that relate to the statistical moments of model parameters from independent observed data. Our approach has a computational cost comparable to analysis of models that neglect heterogeneity, a significant improvement over many existing alternatives. We demonstrate how analysis of random parameter models can aid better understanding of the sources of heterogeneity from biological data.
Recently it was shown that the so-called guided local Hamiltonian problem -- estimating the smallest eigenvalue of a $k$-local Hamiltonian when provided with a description of a quantum state ('guiding state') that is guaranteed to have substantial overlap with the true groundstate -- is BQP-complete for $k \geq 6$ when the required precision is inverse polynomial in the system size $n$, and remains hard even when the overlap of the guiding state with the groundstate is close to a constant $\left(\frac12 - \Omega\left(\frac{1}{\mathop{poly}(n)}\right)\right)$. We improve upon this result in three ways: by showing that it remains BQP-complete when i) the Hamiltonian is 2-local, ii) the overlap between the guiding state and target eigenstate is as large as $1 - \Omega\left(\frac{1}{\mathop{poly}(n)}\right)$, and iii) when one is interested in estimating energies of excited states, rather than just the groundstate. Interestingly, iii) is only made possible by first showing that ii) holds.
This PhD thesis contains several contributions to the field of statistical causal modeling. Statistical causal models are statistical models embedded with causal assumptions that allow for the inference and reasoning about the behavior of stochastic systems affected by external manipulation (interventions). This thesis contributes to the research areas concerning the estimation of causal effects, causal structure learning, and distributionally robust (out-of-distribution generalizing) prediction methods. We present novel and consistent linear and non-linear causal effects estimators in instrumental variable settings that employ data-dependent mean squared prediction error regularization. Our proposed estimators show, in certain settings, mean squared error improvements compared to both canonical and state-of-the-art estimators. We show that recent research on distributionally robust prediction methods has connections to well-studied estimators from econometrics. This connection leads us to prove that general K-class estimators possess distributional robustness properties. We, furthermore, propose a general framework for distributional robustness with respect to intervention-induced distributions. In this framework, we derive sufficient conditions for the identifiability of distributionally robust prediction methods and present impossibility results that show the necessity of several of these conditions. We present a new structure learning method applicable in additive noise models with directed trees as causal graphs. We prove consistency in a vanishing identifiability setup and provide a method for testing substructure hypotheses with asymptotic family-wise error control that remains valid post-selection. Finally, we present heuristic ideas for learning summary graphs of nonlinear time-series models.
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