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Graph Convolutional Networks (GCNs) are one of the most popular architectures that are used to solve classification problems accompanied by graphical information. We present a rigorous theoretical understanding of the effects of graph convolutions in multi-layer networks. We study these effects through the node classification problem of a non-linearly separable Gaussian mixture model coupled with a stochastic block model. First, we show that a single graph convolution expands the regime of the distance between the means where multi-layer networks can classify the data by a factor of at least $1/\sqrt[4]{\mathbb{E}{\rm deg}}$, where $\mathbb{E}{\rm deg}$ denotes the expected degree of a node. Second, we show that with a slightly stronger graph density, two graph convolutions improve this factor to at least $1/\sqrt[4]{n}$, where $n$ is the number of nodes in the graph. Finally, we provide both theoretical and empirical insights into the performance of graph convolutions placed in different combinations among the layers of a network, concluding that the performance is mutually similar for all combinations of the placement. We present extensive experiments on both synthetic and real-world data that illustrate our results.

Compositional data, which is data consisting of fractions or probabilities, is common in many fields including ecology, economics, physical science and political science. If these data would otherwise be normally distributed, their spread can be conveniently represented by a multivariate normal distribution truncated to the non-negative space under a unit simplex. Here this distribution is called the simplex-truncated multivariate normal distribution. For calculations on truncated distributions, it is often useful to obtain rapid estimates of their integral, mean and covariance; these quantities characterising the truncated distribution will generally possess different values to the corresponding non-truncated distribution. In this paper, three different approaches that can estimate the integral, mean and covariance of any simplex-truncated multivariate normal distribution are described and compared. These three approaches are (1) naive rejection sampling, (2) a method described by Gessner et al. that unifies subset simulation and the Holmes-Diaconis-Ross algorithm with an analytical version of elliptical slice sampling, and (3) a semi-analytical method that expresses the integral, mean and covariance in terms of integrals of hyperrectangularly-truncated multivariate normal distributions, the latter of which are readily computed in modern mathematical and statistical packages. Strong agreement is demonstrated between all three approaches, but the most computationally efficient approach depends strongly both on implementation details and the dimension of the simplex-truncated multivariate normal distribution. For computations in low-dimensional distributions, the semi-analytical method is fast and thus should be considered. As the dimension increases, the Gessner et al. method becomes the only practically efficient approach of the methods tested here.

Covariance estimation for matrix-valued data has received an increasing interest in applications. Unlike previous works that rely heavily on matrix normal distribution assumption and the requirement of fixed matrix size, we propose a class of distribution-free regularized covariance estimation methods for high-dimensional matrix data under a separability condition and a bandable covariance structure. Under these conditions, the original covariance matrix is decomposed into a Kronecker product of two bandable small covariance matrices representing the variability over row and column directions. We formulate a unified framework for estimating bandable covariance, and introduce an efficient algorithm based on rank one unconstrained Kronecker product approximation. The convergence rates of the proposed estimators are established, and the derived minimax lower bound shows our proposed estimator is rate-optimal under certain divergence regimes of matrix size. We further introduce a class of robust covariance estimators and provide theoretical guarantees to deal with heavy-tailed data. We demonstrate the superior finite-sample performance of our methods using simulations and real applications from a gridded temperature anomalies dataset and a S&P 500 stock data analysis.

As the next-generation wireless networks thrive, full-duplex and relaying techniques are combined to improve the network performance. Random linear network coding (RLNC) is another popular technique to enhance the efficiency and reliability in wireless communications. In this paper, in order to explore the potential of RLNC in full-duplex relay networks, we investigate two fundamental perfect RLNC schemes and theoretically analyze their completion delay performance. The first scheme is a straightforward application of conventional perfect RLNC studied in wireless broadcast, so it involves no additional process at the relay. Its performance serves as an upper bound among all perfect RLNC schemes. The other scheme allows sufficiently large buffer and unconstrained linear coding at the relay. It attains the optimal performance and serves as a lower bound among all RLNC schemes. For both schemes, closed-form formulae to characterize the expected completion delay at a single receiver as well as for the whole system are derived. Numerical results are also demonstrated to justify the theoretical characterizations, and compare the two new schemes with the existing one.

As a distributed learning paradigm, Federated Learning (FL) faces the communication bottleneck issue due to many rounds of model synchronization and aggregation. Heterogeneous data further deteriorates the situation by causing slow convergence. Although the impact of data heterogeneity on supervised FL has been widely studied, the related investigation for Federated Reinforcement Learning (FRL) is still in its infancy. In this paper, we first define the type and level of data heterogeneity for policy gradient based FRL systems. By inspecting the connection between the global and local objective functions, we prove that local training can benefit the global objective, if the local update is properly penalized by the total variation (TV) distance between the local and global policies. A necessary condition for the global policy to be learn-able from the local policy is also derived, which is directly related to the heterogeneity level. Based on the theoretical result, a Kullback-Leibler (KL) divergence based penalty is proposed, which, different from the conventional method that penalizes the model divergence in the parameter space, directly constrains the model outputs in the distribution space. By jointly penalizing the divergence of the local policy from the global policy with a global penalty and constraining each iteration of the local training with a local penalty, the proposed method achieves a better trade-off between training speed (step size) and convergence. Experiment results on two popular RL experiment platforms demonstrate the advantage of the proposed algorithm over existing methods in accelerating and stabilizing the training process with heterogeneous data.

This paper studies how well generative adversarial networks (GANs) learn probability distributions from finite samples. Our main results establish the convergence rates of GANs under a collection of integral probability metrics defined through H\"older classes, including the Wasserstein distance as a special case. We also show that GANs are able to adaptively learn data distributions with low-dimensional structures or have H\"older densities, when the network architectures are chosen properly. In particular, for distributions concentrated around a low-dimensional set, we show that the learning rates of GANs do not depend on the high ambient dimension, but on the lower intrinsic dimension. Our analysis is based on a new oracle inequality decomposing the estimation error into the generator and discriminator approximation error and the statistical error, which may be of independent interest.

We demonstrate that merely analog transmissions and match filtering can realize the function of an edge server in federated learning (FL). Therefore, a network with massively distributed user equipments (UEs) can achieve large-scale FL without an edge server. We also develop a training algorithm that allows UEs to continuously perform local computing without being interrupted by the global parameter uploading, which exploits the full potential of UEs' processing power. We derive convergence rates for the proposed schemes to quantify their training efficiency. The analyses reveal that when the interference obeys a Gaussian distribution, the proposed algorithm retrieves the convergence rate of a server-based FL. But if the interference distribution is heavy-tailed, then the heavier the tail, the slower the algorithm converges. Nonetheless, the system run time can be largely reduced by enabling computation in parallel with communication, whereas the gain is particularly pronounced when communication latency is high. These findings are corroborated via excessive simulations.

One of the most important problems in system identification and statistics is how to estimate the unknown parameters of a given model. Optimization methods and specialized procedures, such as Empirical Minimization (EM) can be used in case the likelihood function can be computed. For situations where one can only simulate from a parametric model, but the likelihood is difficult or impossible to evaluate, a technique known as the Two-Stage (TS) Approach can be applied to obtain reliable parametric estimates. Unfortunately, there is currently a lack of theoretical justification for TS. In this paper, we propose a statistical decision-theoretical derivation of TS, which leads to Bayesian and Minimax estimators. We also show how to apply the TS approach on models for independent and identically distributed samples, by computing quantiles of the data as a first step, and using a linear function as the second stage. The proposed method is illustrated via numerical simulations.

Present-day atomistic simulations generate long trajectories of ever more complex systems. Analyzing these data, discovering metastable states, and uncovering their nature is becoming increasingly challenging. In this paper, we first use the variational approach to conformation dynamics to discover the slowest dynamical modes of the simulations. This allows the different metastable states of the system to be located and organized hierarchically. The physical descriptors that characterize metastable states are discovered by means of a machine learning method. We show in the cases of two proteins, Chignolin and Bovine Pancreatic Trypsin Inhibitor, how such analysis can be effortlessly performed in a matter of seconds. Another strength of our approach is that it can be applied to the analysis of both unbiased and biased simulations.

Neural networks have shown tremendous growth in recent years to solve numerous problems. Various types of neural networks have been introduced to deal with different types of problems. However, the main goal of any neural network is to transform the non-linearly separable input data into more linearly separable abstract features using a hierarchy of layers. These layers are combinations of linear and nonlinear functions. The most popular and common non-linearity layers are activation functions (AFs), such as Logistic Sigmoid, Tanh, ReLU, ELU, Swish and Mish. In this paper, a comprehensive overview and survey is presented for AFs in neural networks for deep learning. Different classes of AFs such as Logistic Sigmoid and Tanh based, ReLU based, ELU based, and Learning based are covered. Several characteristics of AFs such as output range, monotonicity, and smoothness are also pointed out. A performance comparison is also performed among 18 state-of-the-art AFs with different networks on different types of data. The insights of AFs are presented to benefit the researchers for doing further research and practitioners to select among different choices. The code used for experimental comparison is released at: \url{//github.com/shivram1987/ActivationFunctions}.