亚洲男人的天堂2018av,欧美草比,久久久久久免费视频精选,国色天香在线看免费,久久久久亚洲av成人片仓井空

Predicting quantum operator matrices such as Hamiltonian, overlap, and density matrices in the density functional theory (DFT) framework is crucial for understanding material properties. Current methods often focus on individual operators and struggle with efficiency and scalability for large systems. Here we introduce a novel deep learning model, SLEM (Strictly Localized Equivariant Message-passing) for predicting multiple quantum operators, that achieves state-of-the-art accuracy while dramatically improving computational efficiency. SLEM's key innovation is its strict locality-based design, constructing local, equivariant representations for quantum tensors while preserving physical symmetries. This enables complex many-body dependence without expanding the effective receptive field, leading to superior data efficiency and transferability. Using an innovative SO(2) convolution technique, SLEM reduces the computational complexity of high-order tensor products and is therefore capable of handling systems requiring the $f$ and $g$ orbitals in their basis sets. We demonstrate SLEM's capabilities across diverse 2D and 3D materials, achieving high accuracy even with limited training data. SLEM's design facilitates efficient parallelization, potentially extending DFT simulations to systems with device-level sizes, opening new possibilities for large-scale quantum simulations and high-throughput materials discovery.

We study the problem of computing the value function from a discretely-observed trajectory of a continuous-time diffusion process. We develop a new class of algorithms based on easily implementable numerical schemes that are compatible with discrete-time reinforcement learning (RL) with function approximation. We establish high-order numerical accuracy as well as the approximation error guarantees for the proposed approach. In contrast to discrete-time RL problems where the approximation factor depends on the effective horizon, we obtain a bounded approximation factor using the underlying elliptic structures, even if the effective horizon diverges to infinity.

A non-intrusive model order reduction method for bilinear stochastic differential equations with additive noise is proposed. A reduced order model (ROM) is designed in order to approximate the statistical properties of high-dimensional systems. The drift and diffusion coefficients of the ROM are inferred from state observations by solving appropriate least-squares problems. The closeness of the ROM obtained by the presented approach to the intrusive ROM obtained by the proper orthogonal decomposition (POD) method is investigated. Two generalisations of the snapshot-based dominant subspace construction to the stochastic case are presented. Numerical experiments are provided to compare the developed approach to POD.

This paper develops the high-order entropy stable (ES) finite difference schemes for multi-dimensional compressible Euler equations with the van der Waals equation of state (EOS) on adaptive moving meshes. Semi-discrete schemes are first nontrivially constructed built on the newly derived high-order entropy conservative (EC) fluxes in curvilinear coordinates and scaled eigenvector matrices as well as the multi-resolution WENO reconstruction, and then the fully-discrete schemes are given by using the high-order explicit strong-stability-preserving Runge-Kutta time discretizations.The high-order EC fluxes in curvilinear coordinates are derived by using the discrete geometric conservation laws and the linear combination of the two-point symmetric EC fluxes, while the two-point EC fluxes are delicately selected by using their sufficient condition, the thermodynamic entropy and the technically selected parameter vector.The adaptive moving meshes are iteratively generated by solving the mesh redistribution equations, in which the fundamental derivative related to the occurrence of non-classical waves is involved to produce high-quality mesh. Several numerical tests on the parallel computer system with the MPI programming are conducted to validate the accuracy, the ability to capture the classical and non-classical waves, and the high efficiency of our schemes in comparison with their counterparts on the uniform mesh.

We present a new algorithm for solving linear-quadratic regulator (LQR) problems with linear equality constraints. This is the first such exact algorithm that is guaranteed to have a runtime that is linear in the number of stages, as well as linear in the number of both state-only constraints as well as mixed state-and-control constraints, without imposing any restrictions on the problem instances. We also show how to easily parallelize this algorithm to run in parallel runtime logarithmic in the number of stages of the problem.

We investigate the set of invariant idempotent probabilities for countable idempotent iterated function systems (IFS) defined in compact metric spaces. We demonstrate that, with constant weights, there exists a unique invariant idempotent probability. Utilizing Secelean's approach to countable IFSs, we introduce partially finite idempotent IFSs and prove that the sequence of invariant idempotent measures for these systems converges to the invariant measure of the original countable IFS. We then apply these results to approximate such measures with discrete systems, producing, in the one-dimensional case, data series whose Higuchi fractal dimension can be calculated. Finally, we provide numerical approximations for two-dimensional cases and discuss the application of generalized Higuchi dimensions in these scenarios.

We propose an extremely versatile approach to address a large family of matrix nearness problems, possibly with additional linear constraints. Our method is based on splitting a matrix nearness problem into two nested optimization problems, of which the inner one can be solved either exactly or cheaply, while the outer one can be recast as an unconstrained optimization task over a smooth real Riemannian manifold. We observe that this paradigm applies to many matrix nearness problems of practical interest appearing in the literature, thus revealing that they are equivalent in this sense to a Riemannian optimization problem. We also show that the objective function to be minimized on the Riemannian manifold can be discontinuous, thus requiring regularization techniques, and we give conditions for this to happen. Finally, we demonstrate the practical applicability of our method by implementing it for a number of matrix nearness problems that are relevant for applications and are currently considered very demanding in practice. Extensive numerical experiments demonstrate that our method often greatly outperforms its predecessors, including algorithms specifically designed for those particular problems.

Reduced basis methods for approximating the solutions of parameter-dependant partial differential equations (PDEs) are based on learning the structure of the set of solutions - seen as a manifold ${\mathcal S}$ in some functional space - when the parameters vary. This involves investigating the manifold and, in particular, understanding whether it is close to a low-dimensional affine space. This leads to the notion of Kolmogorov $N$-width that consists of evaluating to which extent the best choice of a vectorial space of dimension $N$ approximates ${\mathcal S}$ well enough. If a good approximation of elements in ${\mathcal S}$ can be done with some well-chosen vectorial space of dimension $N$ -- provided $N$ is not too large -- then a ``reduced'' basis can be proposed that leads to a Galerkin type method for the approximation of any element in ${\mathcal S}$. In many cases, however, the Kolmogorov $N$-width is not so small, even if the parameter set lies in a space of small dimension yielding a manifold with small dimension. In terms of complexity reduction, this gap between the small dimension of the manifold and the large Kolmogorov $N$-width can be explained by the fact that the Kolmogorov $N$-width is linear while, in contrast, the dependency in the parameter is, most often, non-linear. There have been many contributions aiming at reconciling these two statements, either based on deterministic or AI approaches. We investigate here further a new paradigm that, in some sense, merges these two aspects: the nonlinear compressive reduced basisapproximation. We focus on a simple multiparameter problem and illustrate rigorously that the complexity associated with the approximation of the solution to the parameter dependant PDE is directly related to the number of parameters rather than the Kolmogorov $N$-width.

This work explores multi-modal inference in a high-dimensional simplified model, analytically quantifying the performance gain of multi-modal inference over that of analyzing modalities in isolation. We present the Bayes-optimal performance and weak recovery thresholds in a model where the objective is to recover the latent structures from two noisy data matrices with correlated spikes. The paper derives the approximate message passing (AMP) algorithm for this model and characterizes its performance in the high-dimensional limit via the associated state evolution. The analysis holds for a broad range of priors and noise channels, which can differ across modalities. The linearization of AMP is compared numerically to the widely used partial least squares (PLS) and canonical correlation analysis (CCA) methods, which are both observed to suffer from a sub-optimal recovery threshold.

A new, more efficient, numerical method for the SDOF problem is presented. Its construction is based on the weak form of the equation of motion, as obtained in part I of the paper, using piece-wise polynomial functions as interpolation functions. The approximation rate can be arbitrarily high, proportional to the degree of the interpolation functions, tempered only by numerical instability. Moreover, the mechanical energy of the system is conserved. Consequently, all significant drawbacks of existing algorithms, such as the limitations imposed by the Dahlqvist Barrier theorem and the need for introduction of numerical damping, have been overcome.