kNN Algorithm for Conditional Mean and Variance Estimation with Automated Uncertainty Quantification and Variable Selection

In this paper, we introduce a kNN-based regression method that synergizes the scalability and adaptability of traditional non-parametric kNN models with a novel variable selection technique. This method focuses on accurately estimating the conditional mean and variance of random response variables, thereby effectively characterizing conditional distributions across diverse scenarios.Our approach incorporates a robust uncertainty quantification mechanism, leveraging our prior estimation work on conditional mean and variance. The employment of kNN ensures scalable computational efficiency in predicting intervals and statistical accuracy in line with optimal non-parametric rates. Additionally, we introduce a new kNN semi-parametric algorithm for estimating ROC curves, accounting for covariates. For selecting the smoothing parameter k, we propose an algorithm with theoretical guarantees.Incorporation of variable selection enhances the performance of the method significantly over conventional kNN techniques in various modeling tasks. We validate the approach through simulations in low, moderate, and high-dimensional covariate spaces. The algorithm's effectiveness is particularly notable in biomedical applications as demonstrated in two case studies. Concluding with a theoretical analysis, we highlight the consistency and convergence rate of our method over traditional kNN models, particularly when the underlying regression model takes values in a low-dimensional space.

Temporal-spatial model via Trend Filtering

This research focuses on the estimation of a non-parametric regression function designed for data with simultaneous time and space dependencies. In such a context, we study the Trend Filtering, a nonparametric estimator introduced by \cite{mammen1997locally} and \cite{rudin1992nonlinear}. For univariate settings, the signals we consider are assumed to have a kth weak derivative with bounded total variation, allowing for a general degree of smoothness. In the multivariate scenario, we study a $K$-Nearest Neighbor fused lasso estimator as in \cite{padilla2018adaptive}, employing an ADMM algorithm, suitable for signals with bounded variation that adhere to a piecewise Lipschitz continuity criterion. By aligning with lower bounds, the minimax optimality of our estimators is validated. A unique phase transition phenomenon, previously uncharted in Trend Filtering studies, emerges through our analysis. Both Simulation studies and real data applications underscore the superior performance of our method when compared with established techniques in the existing literature.

Kernel Biclustering algorithm in Hilbert Spaces

Biclustering algorithms partition data and covariates simultaneously, providing new insights in several domains, such as analyzing gene expression to discover new biological functions. This paper develops a new model-free biclustering algorithm in abstract spaces using the notions of energy distance (ED) and the maximum mean discrepancy (MMD) -- two distances between probability distributions capable of handling complex data such as curves or graphs. The proposed method can learn more general and complex cluster shapes than most existing literature approaches, which usually focus on detecting mean and variance differences. Although the biclustering configurations of our approach are constrained to create disjoint structures at the datum and covariate levels, the results are competitive. Our results are similar to state-of-the-art methods in their optimal scenarios, assuming a proper kernel choice, outperforming them when cluster differences are concentrated in higher-order moments. The model's performance has been tested in several situations that involve simulated and real-world datasets. Finally, new theoretical consistency results are established using some tools of the theory of optimal transport.

Variance estimation in graphs with the fused lasso

We study the problem of variance estimation in general graph-structured problems. First, we develop a linear time estimator for the homoscedastic case that can consistently estimate the variance in general graphs. We show that our estimator attains minimax rates for the chain and 2D grid graphs when the mean signal has a total variation with canonical scaling. Furthermore, we provide general upper bounds on the mean squared error performance of the fused lasso estimator in general graphs under a moment condition and a bound on the tail behavior of the errors. These upper bounds allow us to generalize for broader classes of distributions, such as sub-Exponential, many existing results on the fused lasso that are only known to hold with the assumption that errors are sub-Gaussian random variables. Exploiting our upper bounds, we then study a simple total variation regularization estimator for estimating the signal of variances in the heteroscedastic case. Our results show that the variance estimator attains minimax rates for estimating signals of bounded variation in grid graphs, $K$-nearest neighbor graphs with very mild assumptions, and it is consistent for estimating the variances in any connected graph. In addition, extensive numerical results show that our proposed estimators perform reasonably well in a variety of graph-structured models.

Sequential Learning of the Topological Ordering for the Linear Non-Gaussian Acyclic Model with Parametric Noise

Causal discovery, the learning of causality in a data mining scenario, has been of strong scientific and theoretical interest as a starting point to identify "what causes what?" Contingent on assumptions, it is sometimes possible to identify an exact causal Directed Acyclic Graph (DAG), as opposed to a Markov equivalence class of graphs that gives ambiguity of causal directions. The focus of this paper is on one such case: a linear structural equation model with non-Gaussian noise, a model known as the Linear Non-Gaussian Acyclic Model (LiNGAM). Given a specified parametric noise model, we develop a novel sequential approach to estimate the causal ordering of a DAG. At each step of the procedure, only simple likelihood ratio scores are calculated on regression residuals to decide the next node to append to the current partial ordering. Under mild assumptions, the population version of our procedure provably identifies a true ordering of the underlying causal DAG. We provide extensive numerical evidence to demonstrate that our sequential procedure is scalable to cases with possibly thousands of nodes and works well for high-dimensional data. We also conduct an application to a single-cell gene expression dataset to demonstrate our estimation procedure.

Lattice partition recovery with dyadic CART

We study piece-wise constant signals corrupted by additive Gaussian noise over a $d$-dimensional lattice. Data of this form naturally arise in a host of applications, and the tasks of signal detection or testing, de-noising and estimation have been studied extensively in the statistical and signal processing literature. In this paper we consider instead the problem of partition recovery, i.e.~of estimating the partition of the lattice induced by the constancy regions of the unknown signal, using the computationally-efficient dyadic classification and regression tree (DCART) methodology proposed by \citep{donoho1997cart}. We prove that, under appropriate regularity conditions on the shape of the partition elements, a DCART-based procedure consistently estimates the underlying partition at a rate of order $\sigma^2 k^* \log (N)/\kappa^2$, where $k^*$ is the minimal number of rectangular sub-graphs obtained using recursive dyadic partitions supporting the signal partition, $\sigma^2$ is the noise variance, $\kappa$ is the minimal magnitude of the signal difference among contiguous elements of the partition and $N$ is the size of the lattice. Furthermore, under stronger assumptions, our method attains a sharper estimation error of order $\sigma^2\log(N)/\kappa^2$, independent of $ k^*$, which we show to be minimax rate optimal. Our theoretical guarantees further extend to the partition estimator based on the optimal regression tree estimator (ORT) of \cite{chatterjee2019adaptive} and to the one obtained through an NP-hard exhaustive search method. We corroborate our theoretical findings and the effectiveness of DCART for partition recovery in simulations.

Optimal network online change point localisation

We study the problem of online network change point detection. In this setting, a collection of independent Bernoulli networks is collected sequentially, and the underlying distributions change when a change point occurs. The goal is to detect the change point as quickly as possible, if it exists, subject to a constraint on the number or probability of false alarms. In this paper, on the detection delay, we establish a minimax lower bound and two upper bounds based on NP-hard algorithms and polynomial-time algorithms, i.e., \[ \mbox{detection delay} \begin{cases} \gtrsim \log(1/\alpha) \frac{\max\{r^2/n, \, 1\}}{\kappa_0^2 n \rho},\\ \lesssim \log(\Delta/\alpha) \frac{\max\{r^2/n, \, \log(r)\}}{\kappa_0^2 n \rho}, & \mbox{with NP-hard algorithms},\\ \lesssim \log(\Delta/\alpha) \frac{r}{\kappa_0^2 n \rho}, & \mbox{with polynomial-time algorithms}, \end{cases} \] where $\kappa_0, n, \rho, r$ and $\alpha$ are the normalised jump size, network size, entrywise sparsity, rank sparsity and the overall Type-I error upper bound. All the model parameters are allowed to vary as $\Delta$, the location of the change point, diverges. The polynomial-time algorithms are novel procedures that we propose in this paper, designed for quick detection under two different forms of Type-I error control. The first is based on controlling the overall probability of a false alarm when there are no change points, and the second is based on specifying a lower bound on the expected time of the first false alarm. Extensive experiments show that, under different scenarios and the aforementioned forms of Type-I error control, our proposed approaches outperform state-of-the-art methods.

Quantile regression with ReLU Networks: Estimators and minimax rates

Quantile regression is the task of estimating a specified percentile response, such as the median, from a collection of known covariates. We study quantile regression with rectified linear unit (ReLU) neural networks as the chosen model class. We derive an upper bound on the expected mean squared error of a ReLU network used to estimate any quantile conditional on a set of covariates. This upper bound only depends on the best possible approximation error, the number of layers in the network, and the number of nodes per layer. We further show upper bounds that are tight for two large classes of functions: compositions of H\"older functions and members of a Besov space. These tight bounds imply ReLU networks with quantile regression achieve minimax rates for broad collections of function types. Unlike existing work, the theoretical results hold under minimal assumptions and apply to general error distributions, including heavy-tailed distributions. Empirical simulations on a suite of synthetic response functions demonstrate the theoretical results translate to practical implementations of ReLU networks. Overall, the theoretical and empirical results provide insight into the strong performance of ReLU neural networks for quantile regression across a broad range of function classes and error distributions. All code for this paper is publicly available at https://github.com/tansey/quantile-regression.