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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.

We introduce a family of pairwise stochastic gradient estimators for gradients of expectations, which are related to the log-derivative trick, but involve pairwise interactions between samples. The simplest example of our new estimator, dubbed the fundamental trick estimator, is shown to arise from either a) introducing and approximating an integral representation based on the fundamental theorem of calculus, or b) applying the reparameterisation trick to an implicit parameterisation under infinitesimal perturbation of the parameters. From the former perspective we generalise to a reproducing kernel Hilbert space representation, giving rise to a locality parameter in the pairwise interactions mentioned above, yielding our representer trick estimator. The resulting estimators are unbiased and shown to offer an independent component of useful information in comparison with the log-derivative estimator. We provide a further novel theoretical analysis which further characterises the variance reduction afforded by the new techniques. Promising analytical and numerical examples confirm the theory and intuitions behind the new estimators.

The binary rank of a $0,1$ matrix is the smallest size of a partition of its ones into monochromatic combinatorial rectangles. A matrix $M$ is called $(k_1, \ldots, k_m ; n_1, \ldots, n_m)$ circulant block diagonal if it is a block matrix with $m$ diagonal blocks, such that for each $i \in [m]$, the $i$th diagonal block of $M$ is the circulant matrix whose first row has $k_i$ ones followed by $n_i-k_i$ zeros, and all of whose other entries are zeros. In this work, we study the binary rank of these matrices and of their complement. In particular, we compare the binary rank of these matrices to their rank over the reals, which forms a lower bound on the former. We present a general method for proving upper bounds on the binary rank of block matrices that have diagonal blocks of some specified structure and ones elsewhere. Using this method, we prove that the binary rank of the complement of a $(k_1, \ldots, k_m ; n_1, \ldots, n_m)$ circulant block diagonal matrix for integers satisfying $n_i>k_i>0$ for each $i \in [m]$ exceeds its real rank by no more than the maximum of $\gcd(n_i,k_i)-1$ over all $i \in [m]$. We further present several sufficient conditions for the binary rank of these matrices to strictly exceed their real rank. By combining the upper and lower bounds, we determine the exact binary rank of various families of matrices and, in addition, significantly generalize a result of Gregory. Motivated by a question of Pullman, we study the binary rank of $k$-regular $0,1$ matrices and of their complement. As an application of our results on circulant block diagonal matrices, we show that for every $k \geq 2$, there exist $k$-regular $0,1$ matrices whose binary rank is strictly larger than that of their complement. Furthermore, we exactly determine for every integer $r$, the smallest possible binary rank of the complement of a $2$-regular $0,1$ matrix with binary rank $r$.

In this paper, we propose a depth-first search (DFS) algorithm for searching maximum matchings in general graphs. Unlike blossom shrinking algorithms, which store all possible alternative alternating paths in the super-vertices shrunk from blossoms, the newly proposed algorithm does not involve blossom shrinking. The basic idea is to deflect the alternating path when facing blossoms. The algorithm maintains detour information in an auxiliary stack to minimize the redundant data structures. A benefit of our technique is to avoid spending time on shrinking and expanding blossoms. This DFS algorithm can determine a maximum matching of a general graph with $m$ edges and $n$ vertices in $O(mn)$ time with space complexity $O(n)$.

We describe a numerical algorithm for approximating the equilibrium-reduced density matrix and the effective (mean force) Hamiltonian for a set of system spins coupled strongly to a set of bath spins when the total system (system+bath) is held in canonical thermal equilibrium by weak coupling with a "super-bath". Our approach is a generalization of now standard typicality algorithms for computing the quantum expectation value of observables of bare quantum systems via trace estimators and Krylov subspace methods. In particular, our algorithm makes use of the fact that the reduced system density, when the bath is measured in a given random state, tends to concentrate about the corresponding thermodynamic averaged reduced system density. Theoretical error analysis and numerical experiments are given to validate the accuracy of our algorithm. Further numerical experiments demonstrate the potential of our approach for applications including the study of quantum phase transitions and entanglement entropy for long-range interaction systems.

This paper proposes a numerical method based on the Adomian decomposition approach for the time discretization, applied to Euler equations. A recursive property is demonstrated that allows to formulate the method in an appropriate and efficient way. To obtain a fully numerical scheme, the space discretization is achieved using the classical DG techniques. The efficiency of the obtained numerical scheme is demonstrated through numerical tests by comparison to exact solution and the popular Runge-Kutta DG method results.

A novel topological-data-analytical (TDA) method is proposed to distinguish, from noise, small holes surrounded by high-density regions of a probability density function whose mass is concentrated near a manifold (or more generally, a CW complex) embedded in a high-dimensional Euclidean space. The proposed method is robust against additive noise and outliers. In particular, sample points are allowed to be perturbed away from the manifold. Traditional TDA tools, like those based on the distance filtration, often struggle to distinguish small features from noise, because of their short persistence. An alternative filtration, called Robust Density-Aware Distance (RDAD) filtration, is proposed to prolong the persistence of small holes surrounded by high-density regions. This is achieved by weighting the distance function by the density in the sense of Bell et al. Distance-to-measure is incorporated to enhance stability and mitigate noise due to the density estimation. The utility of the proposed filtration in identifying small holes, as well as its robustness against noise, are illustrated through an analytical example and extensive numerical experiments. Basic mathematical properties of the proposed filtration are proven.

In this paper we study the finite sample and asymptotic properties of various weighting estimators of the local average treatment effect (LATE), several of which are based on Abadie (2003)'s kappa theorem. Our framework presumes a binary endogenous explanatory variable ("treatment") and a binary instrumental variable, which may only be valid after conditioning on additional covariates. We argue that one of the Abadie estimators, which we show is weight normalized, is likely to dominate the others in many contexts. A notable exception is in settings with one-sided noncompliance, where certain unnormalized estimators have the advantage of being based on a denominator that is bounded away from zero. We use a simulation study and three empirical applications to illustrate our findings. In applications to causal effects of college education using the college proximity instrument (Card, 1995) and causal effects of childbearing using the sibling sex composition instrument (Angrist and Evans, 1998), the unnormalized estimates are clearly unreasonable, with "incorrect" signs, magnitudes, or both. Overall, our results suggest that (i) the relative performance of different kappa weighting estimators varies with features of the data-generating process; and that (ii) the normalized version of Tan (2006)'s estimator may be an attractive alternative in many contexts. Applied researchers with access to a binary instrumental variable should also consider covariate balancing or doubly robust estimators of the LATE.

Dynamic Linear Models (DLMs) are commonly employed for time series analysis due to their versatile structure, simple recursive updating, ability to handle missing data, and probabilistic forecasting. However, the options for count time series are limited: Gaussian DLMs require continuous data, while Poisson-based alternatives often lack sufficient modeling flexibility. We introduce a novel semiparametric methodology for count time series by warping a Gaussian DLM. The warping function has two components: a (nonparametric) transformation operator that provides distributional flexibility and a rounding operator that ensures the correct support for the discrete data-generating process. We develop conjugate inference for the warped DLM, which enables analytic and recursive updates for the state space filtering and smoothing distributions. We leverage these results to produce customized and efficient algorithms for inference and forecasting, including Monte Carlo simulation for offline analysis and an optimal particle filter for online inference. This framework unifies and extends a variety of discrete time series models and is valid for natural counts, rounded values, and multivariate observations. Simulation studies illustrate the excellent forecasting capabilities of the warped DLM. The proposed approach is applied to a multivariate time series of daily overdose counts and demonstrates both modeling and computational successes.

Since the invention of word2vec, the skip-gram model has significantly advanced the research of network embedding, such as the recent emergence of the DeepWalk, LINE, PTE, and node2vec approaches. In this work, we show that all of the aforementioned models with negative sampling can be unified into the matrix factorization framework with closed forms. Our analysis and proofs reveal that: (1) DeepWalk empirically produces a low-rank transformation of a network's normalized Laplacian matrix; (2) LINE, in theory, is a special case of DeepWalk when the size of vertices' context is set to one; (3) As an extension of LINE, PTE can be viewed as the joint factorization of multiple networks' Laplacians; (4) node2vec is factorizing a matrix related to the stationary distribution and transition probability tensor of a 2nd-order random walk. We further provide the theoretical connections between skip-gram based network embedding algorithms and the theory of graph Laplacian. Finally, we present the NetMF method as well as its approximation algorithm for computing network embedding. Our method offers significant improvements over DeepWalk and LINE for conventional network mining tasks. This work lays the theoretical foundation for skip-gram based network embedding methods, leading to a better understanding of latent network representation learning.