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In this work, we present a new high order Discontinuous Galerkin time integration scheme for second-order (in time) differential systems that typically arise from the space discretization of the elastodynamics equation. By rewriting the original equation as a system of first order differential equations we introduce the method and show that the resulting discrete formulation is well-posed, stable and retains super-optimal rate of convergence with respect to the discretization parameters, namely the time step and the polynomial approximation degree. A set of two- and three-dimensional numerical experiments confirm the theoretical bounds. Finally, the method is applied to real geophysical applications.

In this paper, we formulate and study substructuring type algorithm for the Cahn-Hilliard (CH) equation, which was originally proposed to describe the phase separation phenomenon for binary melted alloy below the critical temperature and since then it has appeared in many fields ranging from tumour growth simulation, image processing, thin liquid films, population dynamics etc. Being a non-linear equation, it is important to develop robust numerical techniques to solve the CH equation. Here we present the formulation of Dirichlet-Neumann (DN) and Neumann-Neumann (NN) methods applied to CH equation and study their convergence behaviour. We consider the domain-decomposition based DN and NN methods in one and two space dimension for two subdomains and extend the study for multi-subdomain setting for NN method. We verify our findings with numerical results.

The recently developed physics-informed machine learning has made great progress for solving nonlinear partial differential equations (PDEs), however, it may fail to provide reasonable approximations to the PDEs with discontinuous solutions. In this paper, we focus on the discrete time physics-informed neural network (PINN), and propose a hybrid PINN scheme for the nonlinear PDEs. In this approach, the local solution structures are classified as smooth and nonsmooth scales by introducing a discontinuity indicator, and then the automatic differentiation technique is employed for resolving smooth scales, while an improved weighted essentially non-oscillatory (WENO) scheme is adopted to capture discontinuities. We then test the present approach by considering the viscous and inviscid Burgers equations , and it is shown that compared with original discrete time PINN, the present hybrid approach has a better performance in approximating the discontinuous solution even at a relatively larger time step.

We study a semidiscrete analogue of the Unified Transform Method introduced by A. S. Fokas, to solve initial-boundary-value problems for linear evolution partial differential equations with constant coefficients on the finite interval $x \in (0,L)$. The semidiscrete method is applied to various spatial discretizations of several first and second-order linear equations, producing the exact solution for the semidiscrete problem, given appropriate initial and boundary data. From these solutions, we derive alternative series representations that are better suited for numerical computations. In addition, we show how the Unified Transform Method treats derivative boundary conditions and ghost points introduced by the choice of discretization stencil and we propose the notion of "natural" discretizations. We consider the continuum limit of the semidiscrete solutions and compare with standard finite-difference schemes.

Catastrophic forgetting refers to the tendency that a neural network "forgets" the previous learned knowledge upon learning new tasks. Prior methods have been focused on overcoming this problem on convolutional neural networks (CNNs), where the input samples like images lie in a grid domain, but have largely overlooked graph neural networks (GNNs) that handle non-grid data. In this paper, we propose a novel scheme dedicated to overcoming catastrophic forgetting problem and hence strengthen continual learning in GNNs. At the heart of our approach is a generic module, termed as topology-aware weight preserving~(TWP), applicable to arbitrary form of GNNs in a plug-and-play fashion. Unlike the main stream of CNN-based continual learning methods that rely on solely slowing down the updates of parameters important to the downstream task, TWP explicitly explores the local structures of the input graph, and attempts to stabilize the parameters playing pivotal roles in the topological aggregation. We evaluate TWP on different GNN backbones over several datasets, and demonstrate that it yields performances superior to the state of the art. Code is publicly available at \url{//github.com/hhliu79/TWP}.

Given the input graph and its label/property, several key problems of graph learning, such as finding interpretable subgraphs, graph denoising and graph compression, can be attributed to the fundamental problem of recognizing a subgraph of the original one. This subgraph shall be as informative as possible, yet contains less redundant and noisy structure. This problem setting is closely related to the well-known information bottleneck (IB) principle, which, however, has less been studied for the irregular graph data and graph neural networks (GNNs). In this paper, we propose a framework of Graph Information Bottleneck (GIB) for the subgraph recognition problem in deep graph learning. Under this framework, one can recognize the maximally informative yet compressive subgraph, named IB-subgraph. However, the GIB objective is notoriously hard to optimize, mostly due to the intractability of the mutual information of irregular graph data and the unstable optimization process. In order to tackle these challenges, we propose: i) a GIB objective based-on a mutual information estimator for the irregular graph data; ii) a bi-level optimization scheme to maximize the GIB objective; iii) a connectivity loss to stabilize the optimization process. We evaluate the properties of the IB-subgraph in three application scenarios: improvement of graph classification, graph interpretation and graph denoising. Extensive experiments demonstrate that the information-theoretic IB-subgraph enjoys superior graph properties.

Sampling methods (e.g., node-wise, layer-wise, or subgraph) has become an indispensable strategy to speed up training large-scale Graph Neural Networks (GNNs). However, existing sampling methods are mostly based on the graph structural information and ignore the dynamicity of optimization, which leads to high variance in estimating the stochastic gradients. The high variance issue can be very pronounced in extremely large graphs, where it results in slow convergence and poor generalization. In this paper, we theoretically analyze the variance of sampling methods and show that, due to the composite structure of empirical risk, the variance of any sampling method can be decomposed into \textit{embedding approximation variance} in the forward stage and \textit{stochastic gradient variance} in the backward stage that necessities mitigating both types of variance to obtain faster convergence rate. We propose a decoupled variance reduction strategy that employs (approximate) gradient information to adaptively sample nodes with minimal variance, and explicitly reduces the variance introduced by embedding approximation. We show theoretically and empirically that the proposed method, even with smaller mini-batch sizes, enjoys a faster convergence rate and entails a better generalization compared to the existing methods.

Graph convolution networks (GCN) are increasingly popular in many applications, yet remain notoriously hard to train over large graph datasets. They need to compute node representations recursively from their neighbors. Current GCN training algorithms suffer from either high computational costs that grow exponentially with the number of layers, or high memory usage for loading the entire graph and node embeddings. In this paper, we propose a novel efficient layer-wise training framework for GCN (L-GCN), that disentangles feature aggregation and feature transformation during training, hence greatly reducing time and memory complexities. We present theoretical analysis for L-GCN under the graph isomorphism framework, that L-GCN leads to as powerful GCNs as the more costly conventional training algorithm does, under mild conditions. We further propose L^2-GCN, which learns a controller for each layer that can automatically adjust the training epochs per layer in L-GCN. Experiments show that L-GCN is faster than state-of-the-arts by at least an order of magnitude, with a consistent of memory usage not dependent on dataset size, while maintaining comparable prediction performance. With the learned controller, L^2-GCN can further cut the training time in half. Our codes are available at //github.com/Shen-Lab/L2-GCN.

We introduce a new family of deep neural network models. Instead of specifying a discrete sequence of hidden layers, we parameterize the derivative of the hidden state using a neural network. The output of the network is computed using a black-box differential equation solver. These continuous-depth models have constant memory cost, adapt their evaluation strategy to each input, and can explicitly trade numerical precision for speed. We demonstrate these properties in continuous-depth residual networks and continuous-time latent variable models. We also construct continuous normalizing flows, a generative model that can train by maximum likelihood, without partitioning or ordering the data dimensions. For training, we show how to scalably backpropagate through any ODE solver, without access to its internal operations. This allows end-to-end training of ODEs within larger models.

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.