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The biconjugate gradient method (BiCG) is one of the most popular short-term recurrence methods for solving non-symmetric linear systems of equations. The objective of this paper is to provide an efficient adaption of BiCG to parameterized linear systems. More precisely, we consider the problem of approximating the solution to $A(\mu) x(\mu) = b$ for many different values of the parameter $\mu$. Here we assume $A(\mu)$ is large, sparse, and nonsingular with a nonlinear dependence on $\mu$. Our method is based on a companion linearization derived from an accurate Chebyshev interpolation of $A(\mu)$ on the interval $[-a,a]$, $a \in \mathbb{R}$. The solution to the linearization is approximated in a preconditioned BiCG setting for shifted systems, where the Krylov basis matrix is formed once. This process leads to a short-term recurrence method, where one execution of the algorithm produces the approximation to $x(\mu)$ for many different values of the parameter $\mu \in [-a,a]$ simultaneously. In particular, this work proposes one algorithm which applies a shift-and-invert preconditioner exactly as well as an algorithm which applies the same preconditioner inexactly. The competitiveness of the algorithms are illustrated with large-scale problems arising from a finite element discretization of a Helmholtz equation with parameterized material coefficient. The software used in the simulations is publicly available online, and thus all our experiments are reproducible.

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An ongoing challenge in current natural language processing is how its major advancements tend to disproportionately favor resource-rich languages, leaving a significant number of under-resourced languages behind. Due to the lack of resources required to train and evaluate models, most modern language technologies are either nonexistent or unreliable to process endangered, local, and non-standardized languages. Optical character recognition (OCR) is often used to convert endangered language documents into machine-readable data. However, such OCR output is typically noisy, and most word alignment models are not built to work under such noisy conditions. In this work, we study the existing word-level alignment models under noisy settings and aim to make them more robust to noisy data. Our noise simulation and structural biasing method, tested on multiple language pairs, manages to reduce the alignment error rate on a state-of-the-art neural-based alignment model up to 59.6%.

This paper proposes a flexible framework for inferring large-scale time-varying and time-lagged correlation networks from multivariate or high-dimensional non-stationary time series with piecewise smooth trends. Built on a novel and unified multiple-testing procedure of time-lagged cross-correlation functions with a fixed or diverging number of lags, our method can accurately disclose flexible time-varying network structures associated with complex functional structures at all time points. We broaden the applicability of our method to the structure breaks by developing difference-based nonparametric estimators of cross-correlations, achieve accurate family-wise error control via a bootstrap-assisted procedure adaptive to the complex temporal dynamics, and enhance the probability of recovering the time-varying network structures using a new uniform variance reduction technique. We prove the asymptotic validity of the proposed method and demonstrate its effectiveness in finite samples through simulation studies and empirical applications.

MapReduce (MR) frameworks for maximizing monotone, submodular functions subject to a cardinality constraint (SMCC) have currently only been shown to work with linear-adaptive (non-parallelizable) algorithms, that require large number of distributions in order to utilize the available processors, thus resulting in severe restrictions on the cardinality constraint in addition to limited scalability. Low-adaptive algorithms do not currently satisfy the requirements of these distributed MR frameworks, thereby limiting their performance. We study the SMCC problem in a distributed setting and propose the first MR algorithms with sublinear adaptive complexity. Our algorithms, R-DASH, T-DASH and G-DASH provide $0.316-\varepsilon$, $3/8 -\varepsilon$, and $1 - 1/e -\varepsilon$ approximation ratios, respectively, with nearly optimal adaptive complexity and nearly linear time complexity. Additionally, we provide a framework to increase, under some mild assumptions, the maximum permissible cardinality constraint from $O( n / \ell^2)$ of prior MR algorithms to $O( n / \ell )$, where $n$ is the data size and $\ell$ is the number of machines; under a stronger condition on the objective function, we increase the maximum constraint value to $n$. Finally, we provide empirical evidence to demonstrate that our sublinear-adaptive, distributed algorithms provide orders of magnitude faster runtime compared to current state-of-the-art distributed algorithms.

Motivated by a real-world application, we model and solve a complex staff scheduling problem. Tasks are to be assigned to workers for supervision. Multiple tasks can be covered in parallel by a single worker, with worker shifts being flexible within availabilities. Each worker has a different skill set, enabling them to cover different tasks. Tasks require assignment according to priority and skill requirements. The objective is to maximize the number of assigned tasks weighted by their priorities, while minimizing assignment penalties. We develop an adaptive large neighborhood search (ALNS) algorithm, relying on tailored destroy and repair operators. It is tested on benchmark instances derived from real-world data and compared to optimal results obtained by means of a commercial MIP-solver. Furthermore, we analyze the impact of considering three additional alternative objective functions. When applied to large-scale company data, the developed ALNS outperforms the previously applied solution approach.

Parallel implementations of Krylov subspace methods often help to accelerate the procedure of finding an approximate solution of a linear system. However, such parallelization coupled with asynchronous and out-of-order execution often enlarge the non-associativity impact in floating-point operations. These problems are even amplified when communication-hiding pipelined algorithms are used to improve the parallelization of Krylov subspace methods. Introducing reproducibility in the implementations avoids these problems by getting more robust and correct solutions. This paper proposes a general framework for deriving reproducible and accurate variants of Krylov subspace methods. The proposed algorithmic strategies are reinforced by programmability suggestions to assure deterministic and accurate executions. The framework is illustrated on the preconditioned BiCGStab method and its pipelined modification, which in fact is a distinctive method from the Krylov subspace family, for the solution of non-symmetric linear systems with message-passing. Finally, we verify the numerical behaviour of the two reproducible variants of BiCGStab on a set of matrices from the SuiteSparse Matrix Collection and a 3D Poisson's equation.

Parallel-in-time integration has been the focus of intensive research efforts over the past two decades due to the advent of massively parallel computer architectures and the scaling limits of purely spatial parallelization. Various iterative parallel-in-time (PinT) algorithms have been proposed, like Parareal, PFASST, MGRIT, and Space-Time Multi-Grid (STMG). These methods have been described using different notations, and the convergence estimates that are available are difficult to compare. We describe Parareal, PFASST, MGRIT and STMG for the Dahlquist model problem using a common notation and give precise convergence estimates using generating functions. This allows us, for the first time, to directly compare their convergence. We prove that all four methods eventually converge super-linearly, and also compare them numerically. The generating function framework provides further opportunities to explore and analyze existing and new methods.

We consider \emph{Gibbs distributions}, which are families of probability distributions over a discrete space $\Omega$ with probability mass function of the form $\mu^\Omega_\beta(\omega) \propto e^{\beta H(\omega)}$ for $\beta$ in an interval $[\beta_{\min}, \beta_{\max}]$ and $H( \omega ) \in \{0 \} \cup [1, n]$. The \emph{partition function} is the normalization factor $Z(\beta)=\sum_{\omega \in\Omega}e^{\beta H(\omega)}$. Two important parameters of these distributions are the log partition ratio $q = \log \tfrac{Z(\beta_{\max})}{Z(\beta_{\min})}$ and the counts $c_x = |H^{-1}(x)|$. These are correlated with system parameters in a number of physical applications and sampling algorithms. Our first main result is to estimate the counts $c_x$ using roughly $\tilde O( \frac{q}{\varepsilon^2})$ samples for general Gibbs distributions and $\tilde O( \frac{n^2}{\varepsilon^2} )$ samples for integer-valued distributions (ignoring some second-order terms and parameters), and we show this is optimal up to logarithmic factors. We illustrate with improved algorithms for counting connected subgraphs and perfect matchings in a graph. We develop a key subroutine to estimate the partition function $Z$. Specifically, it generates a data structure to estimate $Z(\beta)$ for \emph{all} values $\beta$, without further samples. Constructing the data structure requires $O(\frac{q \log n}{\varepsilon^2})$ samples for general Gibbs distributions and $O(\frac{n^2 \log n}{\varepsilon^2} + n \log q)$ samples for integer-valued distributions. This improves over a prior algorithm of Huber (2015) which computes a single point estimate $Z(\beta_\max)$ using $O( q \log n( \log q + \log \log n + \varepsilon^{-2}))$ samples. We show matching lower bounds, demonstrating that this complexity is optimal as a function of $n$ and $q$ up to logarithmic terms.

Classic algorithms and machine learning systems like neural networks are both abundant in everyday life. While classic computer science algorithms are suitable for precise execution of exactly defined tasks such as finding the shortest path in a large graph, neural networks allow learning from data to predict the most likely answer in more complex tasks such as image classification, which cannot be reduced to an exact algorithm. To get the best of both worlds, this thesis explores combining both concepts leading to more robust, better performing, more interpretable, more computationally efficient, and more data efficient architectures. The thesis formalizes the idea of algorithmic supervision, which allows a neural network to learn from or in conjunction with an algorithm. When integrating an algorithm into a neural architecture, it is important that the algorithm is differentiable such that the architecture can be trained end-to-end and gradients can be propagated back through the algorithm in a meaningful way. To make algorithms differentiable, this thesis proposes a general method for continuously relaxing algorithms by perturbing variables and approximating the expectation value in closed form, i.e., without sampling. In addition, this thesis proposes differentiable algorithms, such as differentiable sorting networks, differentiable renderers, and differentiable logic gate networks. Finally, this thesis presents alternative training strategies for learning with algorithms.

Recommender system is one of the most important information services on today's Internet. Recently, graph neural networks have become the new state-of-the-art approach of recommender systems. In this survey, we conduct a comprehensive review of the literature in graph neural network-based recommender systems. We first introduce the background and the history of the development of both recommender systems and graph neural networks. For recommender systems, in general, there are four aspects for categorizing existing works: stage, scenario, objective, and application. For graph neural networks, the existing methods consist of two categories, spectral models and spatial ones. We then discuss the motivation of applying graph neural networks into recommender systems, mainly consisting of the high-order connectivity, the structural property of data, and the enhanced supervision signal. We then systematically analyze the challenges in graph construction, embedding propagation/aggregation, model optimization, and computation efficiency. Afterward and primarily, we provide a comprehensive overview of a multitude of existing works of graph neural network-based recommender systems, following the taxonomy above. Finally, we raise discussions on the open problems and promising future directions of this area. We summarize the representative papers along with their codes repositories in //github.com/tsinghua-fib-lab/GNN-Recommender-Systems.

Since deep neural networks were developed, they have made huge contributions to everyday lives. Machine learning provides more rational advice than humans are capable of in almost every aspect of daily life. However, despite this achievement, the design and training of neural networks are still challenging and unpredictable procedures. To lower the technical thresholds for common users, automated hyper-parameter optimization (HPO) has become a popular topic in both academic and industrial areas. This paper provides a review of the most essential topics on HPO. The first section introduces the key hyper-parameters related to model training and structure, and discusses their importance and methods to define the value range. Then, the research focuses on major optimization algorithms and their applicability, covering their efficiency and accuracy especially for deep learning networks. This study next reviews major services and toolkits for HPO, comparing their support for state-of-the-art searching algorithms, feasibility with major deep learning frameworks, and extensibility for new modules designed by users. The paper concludes with problems that exist when HPO is applied to deep learning, a comparison between optimization algorithms, and prominent approaches for model evaluation with limited computational resources.

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