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We investigate a novel non-parametric regression-based clustering algorithm for longitudinal data analysis. Combining natural cubic splines with Gaussian mixture models (GMM), the algorithm can produce smooth cluster means that describe the underlying data well. However, there are some shortcomings in the algorithm: high computational complexity in the parameter estimation procedure and a numerically unstable variance estimator. Therefore, to further increase the usability of the method, we incorporated approaches to reduce its computational complexity, we developed a new, more stable variance estimator, and we developed a new smoothing parameter estimation procedure. We show that the developed algorithm, SMIXS, performs better than GMM on a synthetic dataset in terms of clustering and regression performance. We demonstrate the impact of the computational speed-ups, which we formally prove in the new framework. Finally, we perform a case study by using SMIXS to cluster vertical atmospheric measurements to determine different weather regimes.

We consider the problem of estimating the topology of multiple networks from nodal observations, where these networks are assumed to be drawn from the same (unknown) random graph model. We adopt a graphon as our random graph model, which is a nonparametric model from which graphs of potentially different sizes can be drawn. The versatility of graphons allows us to tackle the joint inference problem even for the cases where the graphs to be recovered contain different number of nodes and lack precise alignment across the graphs. Our solution is based on combining a maximum likelihood penalty with graphon estimation schemes and can be used to augment existing network inference methods. The proposed joint network and graphon estimation is further enhanced with the introduction of a robust method for noisy graph sampling information. We validate our proposed approach by comparing its performance against competing methods in synthetic and real-world datasets.

Recently there is a large amount of work devoted to the study of Markov chain stochastic gradient methods (MC-SGMs) which mainly focus on their convergence analysis for solving minimization problems. In this paper, we provide a comprehensive generalization analysis of MC-SGMs for both minimization and minimax problems through the lens of algorithmic stability in the framework of statistical learning theory. For empirical risk minimization (ERM) problems, we establish the optimal excess population risk bounds for both smooth and non-smooth cases by introducing on-average argument stability. For minimax problems, we develop a quantitative connection between on-average argument stability and generalization error which extends the existing results for uniform stability \cite{lei2021stability}. We further develop the first nearly optimal convergence rates for convex-concave problems both in expectation and with high probability, which, combined with our stability results, show that the optimal generalization bounds can be attained for both smooth and non-smooth cases. To the best of our knowledge, this is the first generalization analysis of SGMs when the gradients are sampled from a Markov process.

This work considers Gaussian process interpolation with a periodized version of the Mat{\'e}rn covariance function (Stein, 1999, Section 6.7) with Fourier coefficients $\phi$($\alpha$^2 + j^2)^(--$\nu$--1/2). Convergence rates are studied for the joint maximum likelihood estimation of $\nu$ and $\phi$ when the data is sampled according to the model. The mean integrated squared error is also analyzed with fixed and estimated parameters, showing that maximum likelihood estimation yields asymptotically the same error as if the ground truth was known. Finally, the case where the observed function is a ''deterministic'' element of a continuous Sobolev space is also considered, suggesting that bounding assumptions on some parameters can lead to different estimates.

We consider the stochastic gradient descent (SGD) algorithm driven by a general stochastic sequence, including i.i.d noise and random walk on an arbitrary graph, among others; and analyze it in the asymptotic sense. Specifically, we employ the notion of `efficiency ordering', a well-analyzed tool for comparing the performance of Markov Chain Monte Carlo (MCMC) samplers, for SGD algorithms in the form of Loewner ordering of covariance matrices associated with the scaled iterate errors in the long term. Using this ordering, we show that input sequences that are more efficient for MCMC sampling also lead to smaller covariance of the errors for SGD algorithms in the limit. This also suggests that an arbitrarily weighted MSE of SGD iterates in the limit becomes smaller when driven by more efficient chains. Our finding is of particular interest in applications such as decentralized optimization and swarm learning, where SGD is implemented in a random walk fashion on the underlying communication graph for cost issues and/or data privacy. We demonstrate how certain non-Markovian processes, for which typical mixing-time based non-asymptotic bounds are intractable, can outperform their Markovian counterparts in the sense of efficiency ordering for SGD. We show the utility of our method by applying it to gradient descent with shuffling and mini-batch gradient descent, reaffirming key results from existing literature under a unified framework. Empirically, we also observe efficiency ordering for variants of SGD such as accelerated SGD and Adam, open up the possibility of extending our notion of efficiency ordering to a broader family of stochastic optimization algorithms.

State estimation is an essential part of autonomous systems. Integrating the Ultra-Wideband(UWB) technique has been shown to correct the long-term estimation drift and bypass the complexity of loop closure detection. However, few works on robotics adopt UWB as a stand-alone state estimation solution. The primary purpose of this work is to investigate planar pose estimation using only UWB range measurements and study the estimator's statistical efficiency. We prove the excellent property of a two-step scheme, which says that we can refine a consistent estimator to be asymptotically efficient by one step of Gauss-Newton iteration. Grounded on this result, we design the GN-ULS estimator and evaluate it through simulations and collected datasets. GN-ULS attains millimeter and sub-degree level accuracy on our static datasets and attains centimeter and degree level accuracy on our dynamic datasets, presenting the possibility of using only UWB for real-time state estimation.

Stochastic kriging has been widely employed for simulation metamodeling to predict the response surface of complex simulation models. However, its use is limited to cases where the design space is low-dimensional because, in general, the sample complexity (i.e., the number of design points required for stochastic kriging to produce an accurate prediction) grows exponentially in the dimensionality of the design space. The large sample size results in both a prohibitive sample cost for running the simulation model and a severe computational challenge due to the need to invert large covariance matrices. Based on tensor Markov kernels and sparse grid experimental designs, we develop a novel methodology that dramatically alleviates the curse of dimensionality. We show that the sample complexity of the proposed methodology grows only slightly in the dimensionality, even under model misspecification. We also develop fast algorithms that compute stochastic kriging in its exact form without any approximation schemes. We demonstrate via extensive numerical experiments that our methodology can handle problems with a design space of more than 10,000 dimensions, improving both prediction accuracy and computational efficiency by orders of magnitude relative to typical alternative methods in practice.

Variational Bayesian posterior inference often requires simplifying approximations such as mean-field parametrisation to ensure tractability. However, prior work has associated the variational mean-field approximation for Bayesian neural networks with underfitting in the case of small datasets or large model sizes. In this work, we show that invariances in the likelihood function of over-parametrised models contribute to this phenomenon because these invariances complicate the structure of the posterior by introducing discrete and/or continuous modes which cannot be well approximated by Gaussian mean-field distributions. In particular, we show that the mean-field approximation has an additional gap in the evidence lower bound compared to a purpose-built posterior that takes into account the known invariances. Importantly, this invariance gap is not constant; it vanishes as the approximation reverts to the prior. We proceed by first considering translation invariances in a linear model with a single data point in detail. We show that, while the true posterior can be constructed from a mean-field parametrisation, this is achieved only if the objective function takes into account the invariance gap. Then, we transfer our analysis of the linear model to neural networks. Our analysis provides a framework for future work to explore solutions to the invariance problem.

We investigate hypothesis testing in nonparametric additive models estimated using simplified smooth backfitting (Huang and Yu, Journal of Computational and Graphical Statistics, \textbf{28(2)}, 386--400, 2019). Simplified smooth backfitting achieves oracle properties under regularity conditions and provides closed-form expressions of the estimators that are useful for deriving asymptotic properties. We develop a generalized likelihood ratio (GLR) and a loss function (LF) based testing framework for inference. Under the null hypothesis, both the GLR and LF tests have asymptotically rescaled chi-squared distributions, and both exhibit the Wilks phenomenon, which means the scaling constants and degrees of freedom are independent of nuisance parameters. These tests are asymptotically optimal in terms of rates of convergence for nonparametric hypothesis testing. Additionally, the bandwidths that are well-suited for model estimation may be useful for testing. We show that in additive models, the LF test is asymptotically more powerful than the GLR test. We use simulations to demonstrate the Wilks phenomenon and the power of these proposed GLR and LF tests, and a real example to illustrate their usefulness.

Parallel-in-time methods for partial differential equations (PDEs) have been the subject of intense development over recent decades, particularly for diffusion-dominated problems. It has been widely reported in the literature, however, that many of these methods perform quite poorly for advection-dominated problems. Here we analyze the particular iterative parallel-in-time algorithm of multigrid reduction-in-time (MGRIT) for discretizations of constant-wave-speed linear advection problems. We focus on common method-of-lines discretizations that employ upwind finite differences in space and Runge-Kutta methods in time. Using a convergence framework we developed in previous work, we prove for a subclass of these discretizations that, if using the standard approach of rediscretizing the fine-grid problem on the coarse grid, robust MGRIT convergence with respect to CFL number and coarsening factor is not possible. This poor convergence and non-robustness is caused, at least in part, by an inadequate coarse-grid correction for smooth Fourier modes known as characteristic components.We propose an alternative coarse-grid that provides a better correction of these modes. This coarse-grid operator is related to previous work and uses a semi-Lagrangian discretization combined with an implicitly treated truncation error correction. Theory and numerical experiments show the coarse-grid operator yields fast MGRIT convergence for many of the method-of-lines discretizations considered, including for both implicit and explicit discretizations of high order.