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This paper presents a novel approach for pointwise estimation of multivariate density functions on known domains of arbitrary dimensions using nonparametric local polynomial estimators. Our method is highly flexible, as it applies to both simple domains, such as open connected sets, and more complicated domains that are not star-shaped around the point of estimation. This enables us to handle domains with sharp concavities, holes, and local pinches, such as polynomial sectors. Additionally, we introduce a data-driven selection rule based on the general ideas of Goldenshluger and Lepski. Our results demonstrate that the local polynomial estimators are minimax under a $L^2$ risk across a wide range of H\"older-type functional classes. In the adaptive case, we provide oracle inequalities and explicitly determine the convergence rate of our statistical procedure. Simulations on polynomial sectors show that our oracle estimates outperform those of the most popular alternative method, found in the sparr package for the R software. Our statistical procedure is implemented in an online R package which is readily accessible.

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We evaluate using Julia as a single language and ecosystem paradigm powered by LLVM to develop workflow components for high-performance computing. We run a Gray-Scott, 2-variable diffusion-reaction application using a memory-bound, 7-point stencil kernel on Frontier, the US Department of Energy's first exascale supercomputer. We evaluate the feasibility, performance, scaling, and trade-offs of (i) the computational kernel on AMD's MI250x GPUs, (ii) weak scaling up to 4,096 MPI processes/GPUs or 512 nodes, (iii) parallel I/O writes using the ADIOS2 library bindings, and (iv) Jupyter Notebooks for interactive data analysis. Our results suggest that although Julia generates a reasonable LLVM-IR kernel, a nearly 50% performance difference exists vs. native AMD HIP stencil codes when running on the GPUs. As expected, we observed near-zero overhead when using MPI and parallel I/O bindings for system-wide installed implementations. Consequently, Julia emerges as a compelling high-performance and high-productivity workflow composition strategy, as measured on the fastest supercomputer in the world.

A rigidity circuit (in 2D) is a minimal dependent set in the rigidity matroid, i.e. a minimal graph supporting a non-trivial stress in any generic placement of its vertices in $\mathbb R^2$. Any rigidity circuit on $n\geq 5$ vertices can be obtained from rigidity circuits on a fewer number of vertices by applying the combinatorial resultant (CR) operation. The inverse operation is called a combinatorial resultant decomposition (CR-decomp). Any rigidity circuit on $n\geq 5$ vertices can be successively decomposed into smaller circuits, until the complete graphs $K_4$ are reached. This sequence of CR-decomps has the structure of a rooted binary tree called the combinatorial resultant tree (CR-tree). A CR-tree encodes an elimination strategy for computing circuit polynomials via Sylvester resultants. Different CR-trees lead to elimination strategies that can vary greatly in time and memory consumption. It is an open problem to establish criteria for optimal CR-trees, or at least to characterize those CR-trees that lead to good elimination strategies. In [12] we presented an algorithm for enumerating CR-trees where we give the algorithms for decomposing 3-connected rigidity circuits in polynomial time. In this paper we focus on those circuits that are not 3-connected, which we simply call 2-connected. In order to enumerate CR-decomps of 2-connected circuits $G$, a brute force exp-time search has to be performed among the subgraphs induced by the subsets of $V(G)$. This exp-time bottleneck is not present in the 3-connected case. In this paper we will argue that we do not have to account for all possible CR-decomps of 2-connected rigidity circuits to find a good elimination strategy; we only have to account for those CR-decomps that are a 2-split, all of which can be enumerated in polynomial time. We present algorithms and computational evidence in support of this heuristic.

Recently established, directed dependence measures for pairs $(X,Y)$ of random variables build upon the natural idea of comparing the conditional distributions of $Y$ given $X=x$ with the marginal distribution of $Y$. They assign pairs $(X,Y)$ values in $[0,1]$, the value is $0$ if and only if $X,Y$ are independent, and it is $1$ exclusively for $Y$ being a function of $X$. Here we show that comparing randomly drawn conditional distributions with each other instead or, equivalently, analyzing how sensitive the conditional distribution of $Y$ given $X=x$ is on $x$, opens the door to constructing novel families of dependence measures $\Lambda_\varphi$ induced by general convex functions $\varphi: \mathbb{R} \rightarrow \mathbb{R}$, containing, e.g., Chatterjee's coefficient of correlation as special case. After establishing additional useful properties of $\Lambda_\varphi$ we focus on continuous $(X,Y)$, translate $\Lambda_\varphi$ to the copula setting, consider the $L^p$-version and establish an estimator which is strongly consistent in full generality. A real data example and a simulation study illustrate the chosen approach and the performance of the estimator. Complementing the afore-mentioned results, we show how a slight modification of the construction underlying $\Lambda_\varphi$ can be used to define new measures of explainability generalizing the fraction of explained variance.

This paper presents a novel spatial discretisation method for the reliable and efficient simulation of Bose-Einstein condensates modelled by the Gross-Pitaevskii equation and the corresponding nonlinear eigenvector problem. The method combines the high-accuracy properties of numerical homogenisation methods with a novel super-localisation approach for the calculation of the basis functions. A rigorous numerical analysis demonstrates superconvergence of the approach compared to classical polynomial and multiscale finite element methods, even in low regularity regimes. Numerical tests reveal the method's competitiveness with spectral methods, particularly in capturing critical physical effects in extreme conditions, such as vortex lattice formation in fast-rotating potential traps. The method's potential is further highlighted through a dynamic simulation of a phase transition from Mott insulator to Bose-Einstein condensate, emphasising its capability for reliable exploration of physical phenomena.

Point source localisation is generally modelled as a Lasso-type problem on measures. However, optimisation methods in non-Hilbert spaces, such as the space of Radon measures, are much less developed than in Hilbert spaces. Most numerical algorithms for point source localisation are based on the Frank-Wolfe conditional gradient method, for which ad hoc convergence theory is developed. We develop extensions of proximal-type methods to spaces of measures. This includes forward-backward splitting, its inertial version, and primal-dual proximal splitting. Their convergence proofs follow standard patterns. We demonstrate their numerical efficacy.

Ordinary state-based peridynamic (OSB-PD) models have an unparalleled capability to simulate crack propagation phenomena in solids with arbitrary Poisson's ratio. However, their non-locality also leads to prohibitively high computational cost. In this paper, a fast solution scheme for OSB-PD models based on matrix operation is introduced, with which, the graphics processing units (GPUs) are used to accelerate the computation. For the purpose of comparison and verification, a commonly used solution scheme based on loop operation is also presented. An in-house software is developed in MATLAB. Firstly, the vibration of a cantilever beam is solved for validating the loop- and matrix-based schemes by comparing the numerical solutions to those produced by a FEM software. Subsequently, two typical dynamic crack propagation problems are simulated to illustrate the effectiveness of the proposed schemes in solving dynamic fracture problems. Finally, the simulation of the Brokenshire torsion experiment is carried out by using the matrix-based scheme, and the similarity in the shapes of the experimental and numerical broken specimens further demonstrates the ability of the proposed approach to deal with 3D non-planar fracture problems. In addition, the speed-up of the matrix-based scheme with respect to the loop-based scheme and the performance of the GPU acceleration are investigated. The results emphasize the high computational efficiency of the matrix-based implementation scheme.

We examine a stochastic formulation for data-driven optimization wherein the decision-maker is not privy to the true distribution, but has knowledge that it lies in some hypothesis set and possesses a historical data set, from which information about it can be gleaned. We define a prescriptive solution as a decision rule mapping such a data set to decisions. As there does not exist prescriptive solutions that are generalizable over the entire hypothesis set, we define out-of-sample optimality as a local average over a neighbourhood of hypotheses, and averaged over the sampling distribution. We prove sufficient conditions for local out-of-sample optimality, which reduces to functions of the sufficient statistic of the hypothesis family. We present an optimization problem that would solve for such an out-of-sample optimal solution, and does so efficiently by a combination of sampling and bisection search algorithms. Finally, we illustrate our model on the newsvendor model, and find strong performance when compared against alternatives in the literature. There are potential implications of our research on end-to-end learning and Bayesian optimization.

Expecting intelligent machines to efficiently work in real world requires a new method to understand unstructured information in unknown environments with good accuracy, scalability and generalization, like human. Here, a memristive neural computing based perceptual signal differential processing and learning method for intelligent machines is presented, via extracting main features of environmental information and applying associated encoded stimuli to memristors, we successfully obtain human-like ability in processing unstructured environmental information, such as amplification (>720%) and adaptation (<50%) of mechanical stimuli. The method also exhibits good scalability and generalization, validated in two typical applications of intelligent machines: object grasping and autonomous driving. In the former, a robot hand experimentally realizes safe and stable grasping, through learning unknown object features (e.g., sharp corner and smooth surface) with a single memristor in 1 ms. In the latter, the decision-making information of 10 unstructured environments in autonomous driving (e.g., overtaking cars, pedestrians) are accurately (94%) extracted with a 40x25 memristor array. By mimicking the intrinsic nature of human low-level perception mechanisms in electronic memristive neural circuits, the proposed method is adaptable to diverse sensing technologies, helping intelligent machines to generate smart high-level decisions in real world.

We propose an approach to compute inner and outer-approximations of the sets of values satisfying constraints expressed as arbitrarily quantified formulas. Such formulas arise for instance when specifying important problems in control such as robustness, motion planning or controllers comparison. We propose an interval-based method which allows for tractable but tight approximations. We demonstrate its applicability through a series of examples and benchmarks using a prototype implementation.

In this paper we develop a novel neural network model for predicting implied volatility surface. Prior financial domain knowledge is taken into account. A new activation function that incorporates volatility smile is proposed, which is used for the hidden nodes that process the underlying asset price. In addition, financial conditions, such as the absence of arbitrage, the boundaries and the asymptotic slope, are embedded into the loss function. This is one of the very first studies which discuss a methodological framework that incorporates prior financial domain knowledge into neural network architecture design and model training. The proposed model outperforms the benchmarked models with the option data on the S&P 500 index over 20 years. More importantly, the domain knowledge is satisfied empirically, showing the model is consistent with the existing financial theories and conditions related to implied volatility surface.

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