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We present and analyse a hybridized discontinuous Galerkin method for incompressible flow problems using non-affine cells, proving that it preserves a key invariance property that illudes most methods, namely that any irrotational component of the prescribed force is exactly balanced by the pressure gradient and does not influence the velocity field. This invariance property can be preserved in the discrete problem if the incompressibility constraint is satisfied in a sufficiently strong sense. We derive sufficient conditions to guarantee discretely divergence-free functions are exactly divergence-free, and give examples of divergence-free finite elements on meshes containing triangular, quadrilateral, tetrahedral, or hexahedral cells generated by a (possibly non-affine) map from their respective reference cells. In the case of quadrilateral cells, we prove an optimal error estimate for the velocity field that does not depend on the pressure approximation. Our theoretical analysis is supported by numerical results.

Control variates are variance reduction tools for Monte Carlo estimators. They can provide significant variance reduction, but usually require a large number of samples, which can be prohibitive when sampling or evaluating the integrand is computationally expensive. Furthermore, there are many scenarios where we need to compute multiple related integrals simultaneously or sequentially, which can further exacerbate computational costs. In this paper, we propose vector-valued control variates, an extension of control variates which can be used to reduce the variance of multiple Monte Carlo estimators jointly. This allows for the transfer of information across integration tasks, and hence reduces the need for a large number of samples. We focus on control variates based on kernel interpolants and our novel construction is obtained through a generalised Stein identity and the development of novel matrix-valued Stein reproducing kernels. We demonstrate our methodology on a range of problems including multifidelity modelling, Bayesian inference for dynamical systems, and model evidence computation through thermodynamic integration.

We propose a novel Bayesian inference framework for distributed differentially private linear regression. We consider a distributed setting where multiple parties hold parts of the data and share certain summary statistics of their portions in privacy-preserving noise. We develop a novel generative statistical model for privately shared statistics, which exploits a useful distributional relation between the summary statistics of linear regression. Bayesian estimation of the regression coefficients is conducted mainly using Markov chain Monte Carlo algorithms, while we also provide a fast version to perform Bayesian estimation in one iteration. The proposed methods have computational advantages over their competitors. We provide numerical results on both real and simulated data, which demonstrate that the proposed algorithms provide well-rounded estimation and prediction.

We develop a principled approach to end-to-end learning in stochastic optimization. First, we show that the standard end-to-end learning algorithm admits a Bayesian interpretation and trains a posterior Bayes action map. Building on the insights of this analysis, we then propose new end-to-end learning algorithms for training decision maps that output solutions of empirical risk minimization and distributionally robust optimization problems, two dominant modeling paradigms in optimization under uncertainty. Numerical results for a synthetic newsvendor problem illustrate the key differences between alternative training schemes. We also investigate an economic dispatch problem based on real data to showcase the impact of the neural network architecture of the decision maps on their test performance.

Vector autoregression has been widely used for modeling and analysis of multivariate time series data. In high-dimensional settings, model parameter regularization schemes inducing sparsity yield interpretable models and achieved good forecasting performance. However, in many data applications, such as those in neuroscience, the Granger causality graph estimates from existing vector autoregression methods tend to be quite dense and difficult to interpret, unless one compromises on the goodness-of-fit. To address this issue, this paper proposes to incorporate a commonly used structural assumption -- that the ground-truth graph should be largely connected, in the sense that it should only contain at most a few components. We take a Bayesian approach and develop a novel tree-rank prior distribution for the regression coefficients. Specifically, this prior distribution forces the non-zero coefficients to appear only on the union of a few spanning trees. Since each spanning tree connects $p$ nodes with only $(p-1)$ edges, it effectively achieves both high connectivity and high sparsity. We develop a computationally efficient Gibbs sampler that is scalable to large sample size and high dimension. In analyzing test-retest functional magnetic resonance imaging data, our model produces a much more interpretable graph estimate, compared to popular existing approaches. In addition, we show appealing properties of this new method, such as efficient computation, mild stability conditions and posterior consistency.

Matrix factor model is drawing growing attention for simultaneous two-way dimension reduction of well-structured matrix-valued observations. This paper focuses on robust statistical inference for matrix factor model in the ``diverging dimension" regime. We derive the convergence rates of the robust estimators for loadings, factors and common components under finite second moment assumption of the idiosyncratic errors. In addition, the asymptotic distributions of the estimators are also derived under mild conditions. We propose a rank minimization and an eigenvalue-ratio method to estimate the pair of factor numbers consistently. Numerical studies confirm the iterative Huber regression algorithm is a practical and reliable approach for the estimation of matrix factor model, especially under the cases with heavy-tailed idiosyncratic errors . We illustrate the practical usefulness of the proposed methods by two real datasets, one on financial portfolios and one on the macroeconomic indices of China.

The conjoining of dynamical systems and deep learning has become a topic of great interest. In particular, neural differential equations (NDEs) demonstrate that neural networks and differential equation are two sides of the same coin. Traditional parameterised differential equations are a special case. Many popular neural network architectures, such as residual networks and recurrent networks, are discretisations. NDEs are suitable for tackling generative problems, dynamical systems, and time series (particularly in physics, finance, ...) and are thus of interest to both modern machine learning and traditional mathematical modelling. NDEs offer high-capacity function approximation, strong priors on model space, the ability to handle irregular data, memory efficiency, and a wealth of available theory on both sides. This doctoral thesis provides an in-depth survey of the field. Topics include: neural ordinary differential equations (e.g. for hybrid neural/mechanistic modelling of physical systems); neural controlled differential equations (e.g. for learning functions of irregular time series); and neural stochastic differential equations (e.g. to produce generative models capable of representing complex stochastic dynamics, or sampling from complex high-dimensional distributions). Further topics include: numerical methods for NDEs (e.g. reversible differential equations solvers, backpropagation through differential equations, Brownian reconstruction); symbolic regression for dynamical systems (e.g. via regularised evolution); and deep implicit models (e.g. deep equilibrium models, differentiable optimisation). We anticipate this thesis will be of interest to anyone interested in the marriage of deep learning with dynamical systems, and hope it will provide a useful reference for the current state of the art.

Multi-label text classification refers to the problem of assigning each given document its most relevant labels from the label set. Commonly, the metadata of the given documents and the hierarchy of the labels are available in real-world applications. However, most existing studies focus on only modeling the text information, with a few attempts to utilize either metadata or hierarchy signals, but not both of them. In this paper, we bridge the gap by formalizing the problem of metadata-aware text classification in a large label hierarchy (e.g., with tens of thousands of labels). To address this problem, we present the MATCH solution -- an end-to-end framework that leverages both metadata and hierarchy information. To incorporate metadata, we pre-train the embeddings of text and metadata in the same space and also leverage the fully-connected attentions to capture the interrelations between them. To leverage the label hierarchy, we propose different ways to regularize the parameters and output probability of each child label by its parents. Extensive experiments on two massive text datasets with large-scale label hierarchies demonstrate the effectiveness of MATCH over state-of-the-art deep learning baselines.

Graph Neural Networks (GNNs), which generalize deep neural networks to graph-structured data, have drawn considerable attention and achieved state-of-the-art performance in numerous graph related tasks. However, existing GNN models mainly focus on designing graph convolution operations. The graph pooling (or downsampling) operations, that play an important role in learning hierarchical representations, are usually overlooked. In this paper, we propose a novel graph pooling operator, called Hierarchical Graph Pooling with Structure Learning (HGP-SL), which can be integrated into various graph neural network architectures. HGP-SL incorporates graph pooling and structure learning into a unified module to generate hierarchical representations of graphs. More specifically, the graph pooling operation adaptively selects a subset of nodes to form an induced subgraph for the subsequent layers. To preserve the integrity of graph's topological information, we further introduce a structure learning mechanism to learn a refined graph structure for the pooled graph at each layer. By combining HGP-SL operator with graph neural networks, we perform graph level representation learning with focus on graph classification task. Experimental results on six widely used benchmarks demonstrate the effectiveness of our proposed model.

Recently, graph neural networks (GNNs) have revolutionized the field of graph representation learning through effectively learned node embeddings, and achieved state-of-the-art results in tasks such as node classification and link prediction. However, current GNN methods are inherently flat and do not learn hierarchical representations of graphs---a limitation that is especially problematic for the task of graph classification, where the goal is to predict the label associated with an entire graph. Here we propose DiffPool, a differentiable graph pooling module that can generate hierarchical representations of graphs and can be combined with various graph neural network architectures in an end-to-end fashion. DiffPool learns a differentiable soft cluster assignment for nodes at each layer of a deep GNN, mapping nodes to a set of clusters, which then form the coarsened input for the next GNN layer. Our experimental results show that combining existing GNN methods with DiffPool yields an average improvement of 5-10% accuracy on graph classification benchmarks, compared to all existing pooling approaches, achieving a new state-of-the-art on four out of five benchmark data sets.