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This paper presents a novel approach to Bayesian nonparametric spectral analysis of stationary multivariate time series. Starting with a parametric vector-autoregressive model, the parametric likelihood is nonparametrically adjusted in the frequency domain to account for potential deviations from parametric assumptions. We show mutual contiguity of the nonparametrically corrected likelihood, the multivariate Whittle likelihood approximation and the exact likelihood for Gaussian time series. A multivariate extension of the nonparametric Bernstein-Dirichlet process prior for univariate spectral densities to the space of Hermitian positive definite spectral density matrices is specified directly on the correction matrices. An infinite series representation of this prior is then used to develop a Markov chain Monte Carlo algorithm to sample from the posterior distribution. The code is made publicly available for ease of use and reproducibility. With this novel approach we provide a generalization of the multivariate Whittle-likelihood-based method of Meier et al. (2020) as well as an extension of the nonparametrically corrected likelihood for univariate stationary time series of Kirch et al. (2019) to the multivariate case. We demonstrate that the nonparametrically corrected likelihood combines the efficiencies of a parametric with the robustness of a nonparametric model. Its numerical accuracy is illustrated in a comprehensive simulation study. We illustrate its practical advantages by a spectral analysis of two environmental time series data sets: a bivariate time series of the Southern Oscillation Index and fish recruitment and time series of windspeed data at six locations in California.

Within the next decade the Laser Interferometer Space Antenna (LISA) is due to be launched, providing the opportunity to extract physics from stellar objects and systems, such as \textit{Extreme Mass Ratio Inspirals}, (EMRIs) otherwise undetectable to ground based interferometers and Pulsar Timing Arrays (PTA). Unlike previous sources detected by the currently available observational methods, these sources can \textit{only} be simulated using an accurate computation of the gravitational self-force. Whereas the field has seen outstanding progress in the frequency domain, metric reconstruction and self-force calculations are still an open challenge in the time domain. Such computations would not only further corroborate frequency domain calculations and models, but also allow for full self-consistent evolution of the orbit under the effect of the self-force. Given we have \textit{a priori} information about the local structure of the discontinuity at the particle, we will show how to construct discontinuous spatial and temporal discretisations by operating on discontinuous Lagrange and Hermite interpolation formulae and hence recover higher order accuracy. In this work we demonstrate how this technique in conjunction with well-suited gauge choice (hyperboloidal slicing) and numerical (discontinuous collocation with time symmetric) methods can provide a relatively simple method of lines numerical algorithm to the problem. This is the first of a series of papers studying the behaviour of a point-particle prescribing circular geodesic motion in Schwarzschild in the \textit{time domain}. In this work we describe the numerical machinery necessary for these computations and show not only our work is capable of highly accurate flux radiation measurements but it also shows suitability for evaluation of the necessary field and it's derivatives at the particle limit.

We consider approximating the solution of the Helmholtz exterior Dirichlet problem for a nontrapping obstacle, with boundary data coming from plane-wave incidence, by the solution of the corresponding boundary value problem where the exterior domain is truncated and a local absorbing boundary condition coming from a Pad\'e approximation (of arbitrary order) of the Dirichlet-to-Neumann map is imposed on the artificial boundary (recall that the simplest such boundary condition is the impedance boundary condition). We prove upper- and lower-bounds on the relative error incurred by this approximation, both in the whole domain and in a fixed neighbourhood of the obstacle (i.e. away from the artificial boundary). Our bounds are valid for arbitrarily-high frequency, with the artificial boundary fixed, and show that the relative error is bounded away from zero, independent of the frequency, and regardless of the geometry of the artificial boundary.

In this paper, we consider feature screening for ultrahigh dimensional clustering analyses. Based on the observation that the marginal distribution of any given feature is a mixture of its conditional distributions in different clusters, we propose to screen clustering features by independently evaluating the homogeneity of each feature's mixture distribution. Important cluster-relevant features have heterogeneous components in their mixture distributions and unimportant features have homogeneous components. The well-known EM-test statistic is used to evaluate the homogeneity. Under general parametric settings, we establish the tail probability bounds of the EM-test statistic for the homogeneous and heterogeneous features, and further show that the proposed screening procedure can achieve the sure independent screening and even the consistency in selection properties. Limiting distribution of the EM-test statistic is also obtained for general parametric distributions. The proposed method is computationally efficient, can accurately screen for important cluster-relevant features and help to significantly improve clustering, as demonstrated in our extensive simulation and real data analyses.

Voltage-gated sodium (Nav) channels constitute a prime target for drug design and discovery, given their implication in various diseases such as epilepsy, migraine and ataxia to name a few. In this regard, performing morphological analysis is a crucial step in comprehensively understanding their biological function and mechanism, as well as in uncovering subtle details of their mechanism that may be elusive to experimental observations. Despite their tremendous therapeutic potential, drug design resources are deficient, particularly in terms of accurate and comprehensive geometric information. This paper presents a geometric dataset of molecular surfaces that are representative of Nav channels in mammals. For each structure we provide three representations and a number of geometric measures, including length, volume and straightness of the recognized channels. To demonstrate the effective use of GEO-Nav, we have tested it on two methods belonging to two different categories of approaches: a sphere-based and a tessellation-based method.

Staging of liver fibrosis is important in the diagnosis and treatment planning of patients suffering from liver diseases. Current deep learning-based methods using abdominal magnetic resonance imaging (MRI) usually take a sub-region of the liver as an input, which nevertheless could miss critical information. To explore richer representations, we formulate this task as a multi-view learning problem and employ multiple sub-regions of the liver. Previously, features or predictions are usually combined in an implicit manner, and uncertainty-aware methods have been proposed. However, these methods could be challenged to capture cross-view representations, which can be important in the accurate prediction of staging. Therefore, we propose a reliable multi-view learning method with interpretable combination rules, which can model global representations to improve the accuracy of predictions. Specifically, the proposed method estimates uncertainties based on subjective logic to improve reliability, and an explicit combination rule is applied based on Dempster-Shafer's evidence theory with good power of interpretability. Moreover, a data-efficient transformer is introduced to capture representations in the global view. Results evaluated on enhanced MRI data show that our method delivers superior performance over existing multi-view learning methods.

Our comprehension of biological neuronal networks has profoundly influenced the evolution of artificial neural networks (ANNs). However, the neurons employed in ANNs exhibit remarkable deviations from their biological analogs, mainly due to the absence of complex dendritic trees encompassing local nonlinearity. Despite such disparities, previous investigations have demonstrated that point neurons can functionally substitute dendritic neurons in executing computational tasks. In this study, we scrutinized the importance of nonlinear dendrites within neural networks. By employing machine-learning methodologies, we assessed the impact of dendritic structure nonlinearity on neural network performance. Our findings reveal that integrating dendritic structures can substantially enhance model capacity and performance while keeping signal communication costs effectively restrained. This investigation offers pivotal insights that hold considerable implications for the development of future neural network accelerators.

Graph Neural Networks (GNNs) have been successfully used in many problems involving graph-structured data, achieving state-of-the-art performance. GNNs typically employ a message-passing scheme, in which every node aggregates information from its neighbors using a permutation-invariant aggregation function. Standard well-examined choices such as the mean or sum aggregation functions have limited capabilities, as they are not able to capture interactions among neighbors. In this work, we formalize these interactions using an information-theoretic framework that notably includes synergistic information. Driven by this definition, we introduce the Graph Ordering Attention (GOAT) layer, a novel GNN component that captures interactions between nodes in a neighborhood. This is achieved by learning local node orderings via an attention mechanism and processing the ordered representations using a recurrent neural network aggregator. This design allows us to make use of a permutation-sensitive aggregator while maintaining the permutation-equivariance of the proposed GOAT layer. The GOAT model demonstrates its increased performance in modeling graph metrics that capture complex information, such as the betweenness centrality and the effective size of a node. In practical use-cases, its superior modeling capability is confirmed through its success in several real-world node classification benchmarks.

As soon as abstract mathematical computations were adapted to computation on digital computers, the problem of efficient representation, manipulation, and communication of the numerical values in those computations arose. Strongly related to the problem of numerical representation is the problem of quantization: in what manner should a set of continuous real-valued numbers be distributed over a fixed discrete set of numbers to minimize the number of bits required and also to maximize the accuracy of the attendant computations? This perennial problem of quantization is particularly relevant whenever memory and/or computational resources are severely restricted, and it has come to the forefront in recent years due to the remarkable performance of Neural Network models in computer vision, natural language processing, and related areas. Moving from floating-point representations to low-precision fixed integer values represented in four bits or less holds the potential to reduce the memory footprint and latency by a factor of 16x; and, in fact, reductions of 4x to 8x are often realized in practice in these applications. Thus, it is not surprising that quantization has emerged recently as an important and very active sub-area of research in the efficient implementation of computations associated with Neural Networks. In this article, we survey approaches to the problem of quantizing the numerical values in deep Neural Network computations, covering the advantages/disadvantages of current methods. With this survey and its organization, we hope to have presented a useful snapshot of the current research in quantization for Neural Networks and to have given an intelligent organization to ease the evaluation of future research in this area.

In order to overcome the expressive limitations of graph neural networks (GNNs), we propose the first method that exploits vector flows over graphs to develop globally consistent directional and asymmetric aggregation functions. We show that our directional graph networks (DGNs) generalize convolutional neural networks (CNNs) when applied on a grid. Whereas recent theoretical works focus on understanding local neighbourhoods, local structures and local isomorphism with no global information flow, our novel theoretical framework allows directional convolutional kernels in any graph. First, by defining a vector field in the graph, we develop a method of applying directional derivatives and smoothing by projecting node-specific messages into the field. Then we propose the use of the Laplacian eigenvectors as such vector field, and we show that the method generalizes CNNs on an n-dimensional grid, and is provably more discriminative than standard GNNs regarding the Weisfeiler-Lehman 1-WL test. Finally, we bring the power of CNN data augmentation to graphs by providing a means of doing reflection, rotation and distortion on the underlying directional field. We evaluate our method on different standard benchmarks and see a relative error reduction of 8\% on the CIFAR10 graph dataset and 11% to 32% on the molecular ZINC dataset. An important outcome of this work is that it enables to translate any physical or biological problems with intrinsic directional axes into a graph network formalism with an embedded directional field.