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Within Bayesian nonparametrics, dependent Dirichlet process mixture models provide a highly flexible approach for conducting inference about the conditional density function. However, several formulations of this class make either rather restrictive modelling assumptions or involve intricate algorithms for posterior inference, thus preventing their widespread use. In response to these challenges, we present a flexible, versatile, and computationally tractable model for density regression based on a single-weights dependent Dirichlet process mixture of normal distributions model for univariate continuous responses. We assume an additive structure for the mean of each mixture component and incorporate the effects of continuous covariates through smooth nonlinear functions. The key components of our modelling approach are penalised B-splines and their bivariate tensor product extension. Our proposed method also seamlessly accommodates parametric effects of categorical covariates, linear effects of continuous covariates, interactions between categorical and/or continuous covariates, varying coefficient terms, and random effects, which is why we refer our model as a Dirichlet process mixture of normal structured additive regression models. A noteworthy feature of our method is its efficiency in posterior simulation through Gibbs sampling, as closed-form full conditional distributions for all model parameters are available. Results from a simulation study demonstrate that our approach successfully recovers true conditional densities and other regression functionals in various challenging scenarios. Applications to a toxicology, disease diagnosis, and agricultural study are provided and further underpin the broad applicability of our modelling framework. An R package, \texttt{DDPstar}, implementing the proposed method is publicly available at \url{//bitbucket.org/mxrodriguez/ddpstar}.

A new variant of Newton's method - named Backtracking New Q-Newton's method (BNQN) - which has strong theoretical guarantee, is easy to implement, and has good experimental performance, was recently introduced by the third author. Experiments performed previously showed some remarkable properties of the basins of attractions for finding roots of polynomials and meromorphic functions, with BNQN. In general, they look more smooth than that of Newton's method. In this paper, we continue to experimentally explore in depth this remarkable phenomenon, and connect BNQN to Newton's flow and Voronoi's diagram. This link poses a couple of challenging puzzles to be explained. Experiments also indicate that BNQN is more robust against random perturbations than Newton's method and Random Relaxed Newton's method.

Scientific discoveries are increasingly constrained by limited storage space and I/O capacities. For time-series simulations and experiments, their data often need to be decimated over timesteps to accommodate storage and I/O limitations. In this paper, we propose a technique that addresses storage costs while improving post-analysis accuracy through spatiotemporal adaptive, error-controlled lossy compression. We investigate the trade-off between data precision and temporal output rates, revealing that reducing data precision and increasing timestep frequency lead to more accurate analysis outcomes. Additionally, we integrate spatiotemporal feature detection with data compression and demonstrate that performing adaptive error-bounded compression in higher dimensional space enables greater compression ratios, leveraging the error propagation theory of a transformation-based compressor. To evaluate our approach, we conduct experiments using the well-known E3SM climate simulation code and apply our method to compress variables used for cyclone tracking. Our results show a significant reduction in storage size while enhancing the quality of cyclone tracking analysis, both quantitatively and qualitatively, in comparison to the prevalent timestep decimation approach. Compared to three state-of-the-art lossy compressors lacking feature preservation capabilities, our adaptive compression framework improves perfectly matched cases in TC tracking by 26.4-51.3% at medium compression ratios and by 77.3-571.1% at large compression ratios, with a merely 5-11% computational overhead.

In a topology optimization setting, design-dependent fluidic pressure loads pose several challenges as their direction, magnitude, and location alter with topology evolution. This paper offers a compact 100-line MATLAB code, TOPress, for topology optimization of structures subjected to fluidic pressure loads using the method of moving asymptotes. The code is intended for pedagogical purposes and aims to ease the beginners' and students' learning toward topology optimization with design-dependent fluidic pressure loads. TOPress is developed per the approach first reported in Kumar et al. (Struct Multidisc Optim 61(4):1637-1655, 2020). The Darcy law, in conjunction with the drainage term, is used to model the applied pressure load. The consistent nodal loads are determined from the obtained pressure field. The employed approach facilitates inexpensive computation of the load sensitivities using the adjoint-variable method. Compliance minimization subject to volume constraint optimization problems are solved. The success and efficacy of the code are demonstrated by solving benchmark numerical examples involving pressure loads, wherein the importance of load sensitivities is also demonstrated. TOPress contains six main parts, is described in detail, and is extended to solve different problems. Steps to include a projection filter are provided to achieve loadbearing designs close to~0-1. The code is provided in Appendix~B and can also be downloaded along with its extensions from \url{//github.com/PrabhatIn/TOPress}.

This study develops a computationally efficient phase-field lattice Boltzmann model with the capability to simulate thermocapillary flows. The model was implemented into the open-source simulation framework, waLBerla, and extended to conduct the collision stage using central moments. The multiphase model was coupled with both a passive-scalar thermal LB, and a RK solution to the energy equation in order to resolve temperature-dependent surface tension phenomena. Various lattice stencils (D3Q7, D3Q15, D3Q19, D3Q27) were tested for the passive-scalar LB and both the second- and fourth-order RK methods were investigated. There was no significant difference observed in the accuracy of the LB or RK schemes. The passive scalar D3Q7 LB discretisation tended to provide computational benefits, while the second order RK scheme is superior in memory usage. This paper makes contributions relating to the modelling of thermocapillary flows and to understanding the behaviour of droplet capture with thermal sources analogous to thermal tweezers. Four primary contributions to the literature are identified. First, a new 3D thermocapillary, central-moment phase-field LB model is presented and implemented in the open-source software, waLBerla. Second, the accuracy and computational performance of various techniques to resolve the energy equation for multiphase, incompressible fluids is investigated. Third, the dynamic droplet transport behaviour in the presence of thermal sources is studied and insight is provided on the potential ability to manipulate droplets based on local domain heating. Finally, a concise analysis of the computational performance together with near-perfect scaling results on NVIDIA and AMD GPU-clusters is shown. This research enables the detailed study of droplet manipulation and control in thermocapillary devices.

We introduce two iterative methods, GPBiLQ and GPQMR, for solving unsymmetric partitioned linear systems. The basic mechanism underlying GPBiLQ and GPQMR is a novel simultaneous tridiagonalization via biorthogonality that allows for short-recurrence iterative schemes. Similar to the biconjugate gradient method, it is possible to develop another method, GPBiCG, whose iterate (if it exists) can be obtained inexpensively from the GPBiLQ iterate. Whereas the iterate of GPBiCG may not exist, the iterates of GPBiLQ and GPQMR are always well defined as long as the biorthogonal tridiagonal reduction process does not break down. We discuss connections between the proposed methods and some existing methods, and give numerical experiments to illustrate the performance of the proposed methods.

The present work is devoted to strong approximations of a generalized Ait-Sahalia model arising from mathematical finance. The numerical study of the considered model faces essential difficulties caused by a drift that blows up at the origin, highly nonlinear drift and diffusion coefficients and positivity-preserving requirement. In this paper, a novel explicit Euler-type scheme is proposed, which is easily implementable and able to preserve positivity of the original model unconditionally, i.e., for any time step-size h>0. A mean-square convergence rate of order 0.5 is also obtained for the proposed scheme in both non-critical and general critical cases. Our work is motivated by the need to justify the multi-level Monte Carlo (MLMC) simulations for the underlying model, where the rate of mean-square convergence is required and the preservation of positivity is desirable particularly for large discretization time steps. To the best of our knowledge, this is the first paper to propose an unconditionally positivity preserving explicit scheme with order 1/2 of mean-square convergence for the model. Numerical experiments are finally provided to confirm the theoretical findings.

Gradient-enhanced Kriging (GE-Kriging) is a well-established surrogate modelling technique for approximating expensive computational models. However, it tends to get impractical for high-dimensional problems due to the size of the inherent correlation matrix and the associated high-dimensional hyper-parameter tuning problem. To address these issues, a new method, called sliced GE-Kriging (SGE-Kriging), is developed in this paper for reducing both the size of the correlation matrix and the number of hyper-parameters. We first split the training sample set into multiple slices, and invoke Bayes' theorem to approximate the full likelihood function via a sliced likelihood function, in which multiple small correlation matrices are utilized to describe the correlation of the sample set rather than one large one. Then, we replace the original high-dimensional hyper-parameter tuning problem with a low-dimensional counterpart by learning the relationship between the hyper-parameters and the derivative-based global sensitivity indices. The performance of SGE-Kriging is finally validated by means of numerical experiments with several benchmarks and a high-dimensional aerodynamic modeling problem. The results show that the SGE-Kriging model features an accuracy and robustness that is comparable to the standard one but comes at much less training costs. The benefits are most evident for high-dimensional problems with tens of variables.

We present ResMLP, an architecture built entirely upon multi-layer perceptrons for image classification. It is a simple residual network that alternates (i) a linear layer in which image patches interact, independently and identically across channels, and (ii) a two-layer feed-forward network in which channels interact independently per patch. When trained with a modern training strategy using heavy data-augmentation and optionally distillation, it attains surprisingly good accuracy/complexity trade-offs on ImageNet. We will share our code based on the Timm library and pre-trained models.