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During the inversion of discrete linear systems, noise in data can be amplified and result in meaningless solutions. To combat this effect, characteristics of solutions that are considered desirable are mathematically implemented during inversion, which is a process called regularization. The influence of provided prior information is controlled by non-negative regularization parameter(s). There are a number of methods used to select appropriate regularization parameters, as well as a number of methods used for inversion. In this paper, we consider the unbiased risk estimator, generalized cross validation, and the discrepancy principle as the means of selecting regularization parameters. When multiple data sets describing the same physical phenomena are available, the use of multiple regularization parameters can enhance results. Here we demonstrate that it is possible to learn multiple parameter regularization parameters using regularization parameter estimators that are modified to handle multiple parameters and multiple data. The results demonstrate that these modified methods, which do not require the use of true data for learning regularization parameters, are effective and efficient, and perform comparably to methods based on true data for learning the relevant parameters.

Variance estimation is important for statistical inference. It becomes non-trivial when observations are masked by serial dependence structures and time-varying mean structures. Existing methods either ignore or sub-optimally handle these nuisance structures. This paper develops a general framework for the estimation of the long-run variance for time series with non-constant means. The building blocks are difference statistics. The proposed class of estimators is general enough to cover many existing estimators. Necessary and sufficient conditions for consistency are investigated. The first asymptotically optimal estimator is derived. Our proposed estimator is theoretically proven to be invariant to arbitrary mean structures, which may include trends and a possibly divergent number of discontinuities.

This paper studies optimal motion planning subject to motion and environment uncertainties. By modeling the system as a probabilistic labeled Markov decision process (PL-MDP), the control objective is to synthesize a finite-memory policy, under which the agent satisfies complex high-level tasks expressed as linear temporal logic (LTL) with desired satisfaction probability. In particular, the cost optimization of the trajectory that satisfies infinite horizon tasks is considered, and the trade-off between reducing the expected mean cost and maximizing the probability of task satisfaction is analyzed. Instead of using traditional Rabin automata, the LTL formulas are converted to limit-deterministic B\"uchi automata (LDBA) with a reachability acceptance condition and a compact graph structure. The novelty of this work lies in considering the cases where LTL specifications can be potentially infeasible and developing a relaxed product MDP between PL-MDP and LDBA. The relaxed product MDP allows the agent to revise its motion plan whenever the task is not fully feasible and quantify the revised plan's violation measurement. A multi-objective optimization problem is then formulated to jointly consider the probability of task satisfaction, the violation with respect to original task constraints, and the implementation cost of the policy execution. The formulated problem can be solved via coupled linear programs. To the best of our knowledge, this work first bridges the gap between probabilistic planning revision of potential infeasible LTL specifications and optimal control synthesis of both plan prefix and plan suffix of the trajectory over the infinite horizons. Experimental results are provided to demonstrate the effectiveness of the proposed framework.

The purpose of this article is to develop machinery to study the capacity of deep neural networks (DNNs) to approximate high-dimensional functions. In particular, we show that DNNs have the expressive power to overcome the curse of dimensionality in the approximation of a large class of functions. More precisely, we prove that these functions can be approximated by DNNs on compact sets such that the number of parameters necessary to represent the approximating DNNs grows at most polynomially in the reciprocal $1/\varepsilon$ of the approximation accuracy $\varepsilon>0$ and in the input dimension $d\in \mathbb{N} =\{1,2,3,\dots\}$. To this end, we introduce certain approximation spaces, consisting of sequences of functions that can be efficiently approximated by DNNs. We then establish closure properties which we combine with known and new bounds on the number of parameters necessary to approximate locally Lipschitz continuous functions, maximum functions, and product functions by DNNs. The main result of this article demonstrates that DNNs have sufficient expressiveness to approximate certain sequences of functions which can be constructed by means of a finite number of compositions using locally Lipschitz continuous functions, maxima, and products without the curse of dimensionality.

This study concerns probability distribution estimation of sample maximum. The traditional approach is the parametric fitting to the limiting distribution - the generalized extreme value distribution; however, the model in finite cases is misspecified to a certain extent. We propose a plug-in type of the kernel distribution estimator which does not need model specification. It is proved that both asymptotic convergence rates depend on the tail index and the second order parameter. As the tail gets light, the degree of misspecification of the parametric fitting becomes large, that means the convergence rate becomes slow. In the Weibull cases, which can be seen as the limit of tail-lightness, only the nonparametric distribution estimator keeps its consistency. Finally, we report results of numerical experiments and two real case studies.

This book develops an effective theory approach to understanding deep neural networks of practical relevance. Beginning from a first-principles component-level picture of networks, we explain how to determine an accurate description of the output of trained networks by solving layer-to-layer iteration equations and nonlinear learning dynamics. A main result is that the predictions of networks are described by nearly-Gaussian distributions, with the depth-to-width aspect ratio of the network controlling the deviations from the infinite-width Gaussian description. We explain how these effectively-deep networks learn nontrivial representations from training and more broadly analyze the mechanism of representation learning for nonlinear models. From a nearly-kernel-methods perspective, we find that the dependence of such models' predictions on the underlying learning algorithm can be expressed in a simple and universal way. To obtain these results, we develop the notion of representation group flow (RG flow) to characterize the propagation of signals through the network. By tuning networks to criticality, we give a practical solution to the exploding and vanishing gradient problem. We further explain how RG flow leads to near-universal behavior and lets us categorize networks built from different activation functions into universality classes. Altogether, we show that the depth-to-width ratio governs the effective model complexity of the ensemble of trained networks. By using information-theoretic techniques, we estimate the optimal aspect ratio at which we expect the network to be practically most useful and show how residual connections can be used to push this scale to arbitrary depths. With these tools, we can learn in detail about the inductive bias of architectures, hyperparameters, and optimizers.

In this paper, from a theoretical perspective, we study how powerful graph neural networks (GNNs) can be for learning approximation algorithms for combinatorial problems. To this end, we first establish a new class of GNNs that can solve strictly a wider variety of problems than existing GNNs. Then, we bridge the gap between GNN theory and the theory of distributed local algorithms to theoretically demonstrate that the most powerful GNN can learn approximation algorithms for the minimum dominating set problem and the minimum vertex cover problem with some approximation ratios and that no GNN can perform better than with these ratios. This paper is the first to elucidate approximation ratios of GNNs for combinatorial problems. Furthermore, we prove that adding coloring or weak-coloring to each node feature improves these approximation ratios. This indicates that preprocessing and feature engineering theoretically strengthen model capabilities.

While Generative Adversarial Networks (GANs) have empirically produced impressive results on learning complex real-world distributions, recent work has shown that they suffer from lack of diversity or mode collapse. The theoretical work of Arora et al.~\cite{AroraGeLiMaZh17} suggests a dilemma about GANs' statistical properties: powerful discriminators cause overfitting, whereas weak discriminators cannot detect mode collapse. In contrast, we show in this paper that GANs can in principle learn distributions in Wasserstein distance (or KL-divergence in many cases) with polynomial sample complexity, if the discriminator class has strong distinguishing power against the particular generator class (instead of against all possible generators). For various generator classes such as mixture of Gaussians, exponential families, and invertible neural networks generators, we design corresponding discriminators (which are often neural nets of specific architectures) such that the Integral Probability Metric (IPM) induced by the discriminators can provably approximate the Wasserstein distance and/or KL-divergence. This implies that if the training is successful, then the learned distribution is close to the true distribution in Wasserstein distance or KL divergence, and thus cannot drop modes. Our preliminary experiments show that on synthetic datasets the test IPM is well correlated with KL divergence, indicating that the lack of diversity may be caused by the sub-optimality in optimization instead of statistical inefficiency.

Stochastic gradient Markov chain Monte Carlo (SGMCMC) has become a popular method for scalable Bayesian inference. These methods are based on sampling a discrete-time approximation to a continuous time process, such as the Langevin diffusion. When applied to distributions defined on a constrained space, such as the simplex, the time-discretisation error can dominate when we are near the boundary of the space. We demonstrate that while current SGMCMC methods for the simplex perform well in certain cases, they struggle with sparse simplex spaces; when many of the components are close to zero. However, most popular large-scale applications of Bayesian inference on simplex spaces, such as network or topic models, are sparse. We argue that this poor performance is due to the biases of SGMCMC caused by the discretization error. To get around this, we propose the stochastic CIR process, which removes all discretization error and we prove that samples from the stochastic CIR process are asymptotically unbiased. Use of the stochastic CIR process within a SGMCMC algorithm is shown to give substantially better performance for a topic model and a Dirichlet process mixture model than existing SGMCMC approaches.

From only positive (P) and unlabeled (U) data, a binary classifier could be trained with PU learning, in which the state of the art is unbiased PU learning. However, if its model is very flexible, empirical risks on training data will go negative, and we will suffer from serious overfitting. In this paper, we propose a non-negative risk estimator for PU learning: when getting minimized, it is more robust against overfitting, and thus we are able to use very flexible models (such as deep neural networks) given limited P data. Moreover, we analyze the bias, consistency, and mean-squared-error reduction of the proposed risk estimator, and bound the estimation error of the resulting empirical risk minimizer. Experiments demonstrate that our risk estimator fixes the overfitting problem of its unbiased counterparts.