We study vulnerability of a uniformly distributed random graph to an attack by an adversary who aims for a global change of the distribution while being able to make only a local change in the graph. We call a graph property $A$ anti-stochastic if the probability that a random graph $G$ satisfies $A$ is small but, with high probability, there is a small perturbation transforming $G$ into a graph satisfying $A$. While for labeled graphs such properties are easy to obtain from binary covering codes, the existence of anti-stochastic properties for unlabeled graphs is not so evident. If an admissible perturbation is either the addition or the deletion of one edge, we exhibit an anti-stochastic property that is satisfied by a random unlabeled graph of order $n$ with probability $(2+o(1))/n^2$, which is as small as possible. We also express another anti-stochastic property in terms of the degree sequence of a graph. This property has probability $(2+o(1))/(n\ln n)$, which is optimal up to factor of 2.
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In this paper we present an algebraic dimension-oblivious two-level domain decomposition solver for discretizations of elliptic partial differential equations. The proposed parallel solver is based on a space-filling curve partitioning approach that is applicable to any discretization, i.e. it directly operates on the assembled matrix equations. Moreover, it allows for the effective use of arbitrary processor numbers independent of the dimension of the underlying partial differential equation while maintaining optimal convergence behavior. This is the core property required to attain a sparse grid based combination method with extreme scalability which can utilize exascale parallel systems efficiently. Moreover, this approach provides a basis for the development of a fault-tolerant solver for the numerical treatment of high-dimensional problems. To achieve the required data redundancy we are therefore concerned with large overlaps of our domain decomposition which we construct via space-filling curves. In this paper, we propose our space-filling curve based domain decomposition solver and present its convergence properties and scaling behavior. The results of numerical experiments clearly show that our approach provides optimal convergence and scaling behavior in arbitrary dimension utilizing arbitrary processor numbers.
Conditional independence models associated with directed acyclic graphs (DAGs) may be characterized in at least three different ways: via a factorization, the global Markov property (given by the d-separation criterion), and the local Markov property. Marginals of DAG models also imply equality constraints that are not conditional independences; the well-known `Verma constraint' is an example. Constraints of this type are used for testing edges, and in a computationally efficient marginalization scheme via variable elimination. We show that equality constraints like the `Verma constraint' can be viewed as conditional independences in kernel objects obtained from joint distributions via a fixing operation that generalizes conditioning and marginalization. We use these constraints to define, via ordered local and global Markov properties, and a factorization, a graphical model associated with acyclic directed mixed graphs (ADMGs). We prove that marginal distributions of DAG models lie in this model, and that a set of these constraints given by Tian provides an alternative definition of the model. Finally, we show that the fixing operation used to define the model leads to a particularly simple characterization of identifiable causal effects in hidden variable causal DAG models.
A directed graph is oriented if it can be obtained by orienting the edges of a simple, undirected graph. For an oriented graph $G$, let $\beta(G)$ denote the size of a minimum feedback arc set, a smallest subset of edges whose deletion leaves an acyclic subgraph. A simple consequence of a result of Berger and Shor is that any oriented graph $G$ with $m$ edges satisfies $\beta(G) = m/2 - \Omega(m^{3/4})$. We observe that if an oriented graph $G$ has a fixed forbidden subgraph $B$, the upper bound of $\beta(G) = m/2 - \Omega(m^{3/4})$ is best possible as a function of the number of edges if $B$ is not bipartite, but the exponent $3/4$ in the lower order term can be improved if $B$ is bipartite. We also show that for every rational number $r$ between $3/4$ and $1$, there is a finite collection of digraphs $\mathcal{B}$ such that every $\mathcal{B}$-free digraph $G$ with $m$ edges satisfies $\beta(G) = m/2 - \Omega(m^r)$, and this bound is best possible up to the implied constant factor. The proof uses a connection to Tur\'an numbers and a result of Bukh and Conlon. Both of our upper bounds come equipped with randomized linear-time algorithms that construct feedback arc sets achieving those bounds. Finally, we give a characterization of quasirandom directed graphs via minimum feedback arc sets.
Stochastic partial differential equations (SPDEs) are the mathematical tool of choice for modelling spatiotemporal PDE-dynamics under the influence of randomness. Based on the notion of mild solution of an SPDE, we introduce a novel neural architecture to learn solution operators of PDEs with (possibly stochastic) forcing from partially observed data. The proposed Neural SPDE model provides an extension to two popular classes of physics-inspired architectures. On the one hand, it extends Neural CDEs and variants -- continuous-time analogues of RNNs -- in that it is capable of processing incoming sequential information arriving irregularly in time and observed at arbitrary spatial resolutions. On the other hand, it extends Neural Operators -- generalizations of neural networks to model mappings between spaces of functions -- in that it can parameterize solution operators of SPDEs depending simultaneously on the initial condition and a realization of the driving noise. By performing operations in the spectral domain, we show how a Neural SPDE can be evaluated in two ways, either by calling an ODE solver (emulating a spectral Galerkin scheme), or by solving a fixed point problem. Experiments on various semilinear SPDEs, including the stochastic Navier-Stokes equations, demonstrate how the Neural SPDE model is capable of learning complex spatiotemporal dynamics in a resolution-invariant way, with better accuracy and lighter training data requirements compared to alternative models, and up to 3 orders of magnitude faster than traditional solvers.
The stochastic gradient Langevin Dynamics is one of the most fundamental algorithms to solve sampling problems and non-convex optimization appearing in several machine learning applications. Especially, its variance reduced versions have nowadays gained particular attention. In this paper, we study two variants of this kind, namely, the Stochastic Variance Reduced Gradient Langevin Dynamics and the Stochastic Recursive Gradient Langevin Dynamics. We prove their convergence to the objective distribution in terms of KL-divergence under the sole assumptions of smoothness and Log-Sobolev inequality which are weaker conditions than those used in prior works for these algorithms. With the batch size and the inner loop length set to $\sqrt{n}$, the gradient complexity to achieve an $\epsilon$-precision is $\tilde{O}((n+dn^{1/2}\epsilon^{-1})\gamma^2 L^2\alpha^{-2})$, which is an improvement from any previous analyses. We also show some essential applications of our result to non-convex optimization.
Graph Neural Networks (GNNs), neural network architectures targeted to learning representations of graphs, have become a popular learning model for prediction tasks on nodes, graphs and configurations of points, with wide success in practice. This article summarizes a selection of the emerging theoretical results on approximation and learning properties of widely used message passing GNNs and higher-order GNNs, focusing on representation, generalization and extrapolation. Along the way, it summarizes mathematical connections.
We prove linear convergence of gradient descent to a global minimum for the training of deep residual networks with constant layer width and smooth activation function. We further show that the trained weights, as a function of the layer index, admits a scaling limit which is H\"older continuous as the depth of the network tends to infinity. The proofs are based on non-asymptotic estimates of the loss function and of norms of the network weights along the gradient descent path. We illustrate the relevance of our theoretical results to practical settings using detailed numerical experiments on supervised learning problems.
Graph neural networks (GNNs) are composed of layers consisting of graph convolutions and pointwise nonlinearities. Due to their invariance and stability properties, GNNs are provably successful at learning representations from data supported on moderate-scale graphs. However, they are difficult to learn on large-scale graphs. In this paper, we study the problem of training GNNs on graphs of moderate size and transferring them to large-scale graphs. We use graph limits called graphons to define limit objects for graph filters and GNNs -- graphon filters and graphon neural networks (WNNs) -- which we interpret as generative models for graph filters and GNNs. We then show that graphon filters and WNNs can be approximated by graph filters and GNNs sampled from them on weighted and stochastic graphs. Because the error of these approximations can be upper bounded, by a triangle inequality argument we can further bound the error of transferring a graph filter or a GNN across graphs. Our results show that (i) the transference error decreases with the graph size, and (ii) that graph filters have a transferability-discriminability tradeoff that in GNNs is alleviated by the scattering behavior of the nonlinearity. These findings are demonstrated empirically in a movie recommendation problem and in a decentralized control task.
In variable selection, a selection rule that prescribes the permissible sets of selected variables (called a "selection dictionary") is desirable due to the inherent structural constraints among the candidate variables. The methods that can incorporate such restrictions can improve model interpretability and prediction accuracy. Penalized regression can integrate selection rules by assigning the coefficients to different groups and then applying penalties to the groups. However, no general framework has been proposed to formalize selection rules and their applications. In this work, we establish a framework for structured variable selection that can incorporate universal structural constraints. We develop a mathematical language for constructing arbitrary selection rules, where the selection dictionary is formally defined. We show that all selection rules can be represented as a combination of operations on constructs, which can be used to identify the related selection dictionary. One may then apply some criteria to select the best model. We show that the theoretical framework can help to identify the grouping structure in existing penalized regression methods. In addition, we formulate structured variable selection into mixed-integer optimization problems which can be solved by existing software. Finally, we discuss the significance of the framework in the context of statistics.
Residual networks (ResNets) have displayed impressive results in pattern recognition and, recently, have garnered considerable theoretical interest due to a perceived link with neural ordinary differential equations (neural ODEs). This link relies on the convergence of network weights to a smooth function as the number of layers increases. We investigate the properties of weights trained by stochastic gradient descent and their scaling with network depth through detailed numerical experiments. We observe the existence of scaling regimes markedly different from those assumed in neural ODE literature. Depending on certain features of the network architecture, such as the smoothness of the activation function, one may obtain an alternative ODE limit, a stochastic differential equation or neither of these. These findings cast doubts on the validity of the neural ODE model as an adequate asymptotic description of deep ResNets and point to an alternative class of differential equations as a better description of the deep network limit.
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