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The discrete gradient structure and the positive definiteness of discrete fractional integrals or derivatives are fundamental to the numerical stability in long-time simulation of nonlinear integro-differential models. We build up a discrete gradient structure for a class of second-order variable-step approximations of fractional Riemann-Liouville integral and fractional Caputo derivative. Then certain variational energy dissipation laws at discrete levels of the corresponding variable-step Crank-Nicolson type methods are established for time-fractional Allen-Cahn and time-fractional Klein-Gordon type models. They are shown to be asymptotically compatible with the associated energy laws of the classical Allen-Cahn and Klein-Gordon equations in the associated fractional order limits.Numerical examples together with an adaptive time-stepping procedure are provided to demonstrate the effectiveness of our second-order methods.

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An essential tool in data-driven modeling of dynamical systems from frequency response measurements is the barycentric form of the underlying rational transfer function. In this work, we propose structured barycentric forms for modeling dynamical systems with second-order time derivatives using their frequency domain input-output data. By imposing a set of interpolation conditions, the systems' transfer functions are rewritten in different barycentric forms using different parametrizations. Loewner-like algorithms are developed for the explicit computation of second-order systems from data based on the developed barycentric forms. Numerical experiments show the performance of these new structured data driven modeling methods compared to other interpolation-based data-driven modeling techniques from the literature.

Generalized linear mixed models are powerful tools for analyzing clustered data, where the unknown parameters are classically (and most commonly) estimated by the maximum likelihood and restricted maximum likelihood procedures. However, since the likelihood based procedures are known to be highly sensitive to outliers, M-estimators have become popular as a means to obtain robust estimates under possible data contamination. In this paper, we prove that, for sufficiently smooth general loss functions defining the M-estimators in generalized linear mixed models, the tail probability of the deviation between the estimated and the true regression coefficients have an exponential bound. This implies an exponential rate of consistency of these M-estimators under appropriate assumptions, generalizing the existing exponential consistency results from univariate to multivariate responses. We have illustrated this theoretical result further for the special examples of the maximum likelihood estimator and the robust minimum density power divergence estimator, a popular example of model-based M-estimators, in the settings of linear and logistic mixed models, comparing it with the empirical rate of convergence through simulation studies.

When data is collected in an adaptive manner, even simple methods like ordinary least squares can exhibit non-normal asymptotic behavior. As an undesirable consequence, hypothesis tests and confidence intervals based on asymptotic normality can lead to erroneous results. We propose a family of online debiasing estimators to correct these distributional anomalies in least squares estimation. Our proposed methods take advantage of the covariance structure present in the dataset and provide sharper estimates in directions for which more information has accrued. We establish an asymptotic normality property for our proposed online debiasing estimators under mild conditions on the data collection process and provide asymptotically exact confidence intervals. We additionally prove a minimax lower bound for the adaptive linear regression problem, thereby providing a baseline by which to compare estimators. There are various conditions under which our proposed estimators achieve the minimax lower bound. We demonstrate the usefulness of our theory via applications to multi-armed bandit, autoregressive time series estimation, and active learning with exploration.

This paper studies the third-order characteristic of nonsingular discrete memoryless channels and the Gaussian channel with a maximal power constraint. The third-order term in our expansions employs a new quantity here called the \emph{channel skewness}, which affects the approximation accuracy more significantly as the error probability decreases. For the Gaussian channel, evaluating Shannon's (1959) random coding and sphere-packing bounds in the central limit theorem (CLT) regime enables exact computation of the channel skewness. For discrete memoryless channels, this work generalizes Moulin's (2017) bounds on the asymptotic expansion of the maximum achievable message set size for nonsingular channels from the CLT regime to include the moderate deviations (MD) regime, thereby refining Altu\u{g} and Wagner's (2014) MD result. For an example binary symmetric channel and most practically important $(n, \epsilon)$ pairs, including $n \in [100, 500]$ and $\epsilon \in [10^{-10}, 10^{-1}]$, an approximation up to the channel skewness is the most accurate among several expansions in the literature. A derivation of the third-order term in the type-II error exponent of binary hypothesis testing in the MD regime is also included; the resulting third-order term is similar to the channel skewness.

Hierarchical learning algorithms that gradually approximate a solution to a data-driven optimization problem are essential to decision-making systems, especially under limitations on time and computational resources. In this study, we introduce a general-purpose hierarchical learning architecture that is based on the progressive partitioning of a possibly multi-resolution data space. The optimal partition is gradually approximated by solving a sequence of optimization sub-problems that yield a sequence of partitions with increasing number of subsets. We show that the solution of each optimization problem can be estimated online using gradient-free stochastic approximation updates. As a consequence, a function approximation problem can be defined within each subset of the partition and solved using the theory of two-timescale stochastic approximation algorithms. This simulates an annealing process and defines a robust and interpretable heuristic method to gradually increase the complexity of the learning architecture in a task-agnostic manner, giving emphasis to regions of the data space that are considered more important according to a predefined criterion. Finally, by imposing a tree structure in the progression of the partitions, we provide a means to incorporate potential multi-resolution structure of the data space into this approach, significantly reducing its complexity, while introducing hierarchical variable-rate feature extraction properties similar to certain classes of deep learning architectures. Asymptotic convergence analysis and experimental results are provided for supervised and unsupervised learning problems.

We develop an optimization-based algorithm for parametric model order reduction (PMOR) of linear time-invariant dynamical systems. Our method aims at minimizing the $\mathcal{H}_\infty \otimes \mathcal{L}_\infty$ approximation error in the frequency and parameter domain by an optimization of the reduced order model (ROM) matrices. State-of-the-art PMOR methods often compute several nonparametric ROMs for different parameter samples, which are then combined to a single parametric ROM. However, these parametric ROMs can have a low accuracy between the utilized sample points. In contrast, our optimization-based PMOR method minimizes the approximation error across the entire parameter domain. Moreover, due to our flexible approach of optimizing the system matrices directly, we can enforce favorable features such as a port-Hamiltonian structure in our ROMs across the entire parameter domain. Our method is an extension of the recently developed SOBMOR-algorithm to parametric systems. We extend both the ROM parameterization and the adaptive sampling procedure to the parametric case. Several numerical examples demonstrate the effectiveness and high accuracy of our method in a comparison with other PMOR methods.

Learning precise surrogate models of complex computer simulations and physical machines often require long-lasting or expensive experiments. Furthermore, the modeled physical dependencies exhibit nonlinear and nonstationary behavior. Machine learning methods that are used to produce the surrogate model should therefore address these problems by providing a scheme to keep the number of queries small, e.g. by using active learning and be able to capture the nonlinear and nonstationary properties of the system. One way of modeling the nonstationarity is to induce input-partitioning, a principle that has proven to be advantageous in active learning for Gaussian processes. However, these methods either assume a known partitioning, need to introduce complex sampling schemes or rely on very simple geometries. In this work, we present a simple, yet powerful kernel family that incorporates a partitioning that: i) is learnable via gradient-based methods, ii) uses a geometry that is more flexible than previous ones, while still being applicable in the low data regime. Thus, it provides a good prior for active learning procedures. We empirically demonstrate excellent performance on various active learning tasks.

This paper presents InterMPL, a semi-supervised learning method of end-to-end automatic speech recognition (ASR) that performs pseudo-labeling (PL) with intermediate supervision. Momentum PL (MPL) trains a connectionist temporal classification (CTC)-based model on unlabeled data by continuously generating pseudo-labels on the fly and improving their quality. In contrast to autoregressive formulations, such as the attention-based encoder-decoder and transducer, CTC is well suited for MPL, or PL-based semi-supervised ASR in general, owing to its simple/fast inference algorithm and robustness against generating collapsed labels. However, CTC generally yields inferior performance than the autoregressive models due to the conditional independence assumption, thereby limiting the performance of MPL. We propose to enhance MPL by introducing intermediate loss, inspired by the recent advances in CTC-based modeling. Specifically, we focus on self-conditional and hierarchical conditional CTC, that apply auxiliary CTC losses to intermediate layers such that the conditional independence assumption is explicitly relaxed. We also explore how pseudo-labels should be generated and used as supervision for intermediate losses. Experimental results in different semi-supervised settings demonstrate that the proposed approach outperforms MPL and improves an ASR model by up to a 12.1% absolute performance gain. In addition, our detailed analysis validates the importance of the intermediate loss.

In many medical subfields, there is a call for greater interpretability in the machine learning systems used for clinical work. In this paper, we design an interpretable deep learning model to predict the presence of 6 types of brainwave patterns (Seizure, LPD, GPD, LRDA, GRDA, other) commonly encountered in ICU EEG monitoring. Each prediction is accompanied by a high-quality explanation delivered with the assistance of a specialized user interface. This novel model architecture learns a set of prototypical examples (``prototypes'') and makes decisions by comparing a new EEG segment to these prototypes. These prototypes are either single-class (affiliated with only one class) or dual-class (affiliated with two classes). We present three main ways of interpreting the model: 1) Using global-structure preserving methods, we map the 1275-dimensional cEEG latent features to a 2D space to visualize the ictal-interictal-injury continuum and gain insight into its high-dimensional structure. 2) Predictions are made using case-based reasoning, inherently providing explanations of the form ``this EEG looks like that EEG.'' 3) We map the model decisions to a 2D space, allowing a user to see how the current sample prediction compares to the distribution of predictions made by the model. Our model performs better than the corresponding uninterpretable (black box) model with $p<0.01$ for discriminatory performance metrics AUROC (area under the receiver operating characteristic curve) and AUPRC (area under the precision-recall curve), as well as for task-specific interpretability metrics. We provide videos of the user interface exploring the 2D embedded space, providing the first global overview of the structure of ictal-interictal-injury continuum brainwave patterns. Our interpretable model and specialized user interface can act as a reference for practitioners who work with cEEG patterns.

Graph neural networks (GNNs) are a popular class of machine learning models whose major advantage is their ability to incorporate a sparse and discrete dependency structure between data points. Unfortunately, GNNs can only be used when such a graph-structure is available. In practice, however, real-world graphs are often noisy and incomplete or might not be available at all. With this work, we propose to jointly learn the graph structure and the parameters of graph convolutional networks (GCNs) by approximately solving a bilevel program that learns a discrete probability distribution on the edges of the graph. This allows one to apply GCNs not only in scenarios where the given graph is incomplete or corrupted but also in those where a graph is not available. We conduct a series of experiments that analyze the behavior of the proposed method and demonstrate that it outperforms related methods by a significant margin.

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