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Different families of Runge-Kutta-Nystr\"om (RKN) symplectic splitting methods of order 8 are presented for second-order systems of ordinary differential equations and are tested on numerical examples. They show a better efficiency than state-of-the-art symmetric compositions of 2nd-order symmetric schemes and RKN splitting methods of orders 4 and 6 for medium to high accuracy. For some particular examples, they are even more efficient than extrapolation methods for high accuracies and integrations over relatively short time intervals.

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機器學習系統設計系統評估標準

We introduce and analyze various Regularized Combined Field Integral Equations (CFIER) formulations of time-harmonic Navier equations in media with piece-wise constant material properties. These formulations can be derived systematically starting from suitable coercive approximations of Dirichlet-to-Neumann operators (DtN), and we present a periodic pseudodifferential calculus framework within which the well posedness of CIER formulations can be established. We also use the DtN approximations to derive and analyze Optimized Schwarz (OS) methods for the solution of elastodynamics transmission problems. The pseudodifferential calculus we develop in this paper relies on careful singularity splittings of the kernels of Navier boundary integral operators which is also the basis of high-order Nystr\"om quadratures for their discretizations. Based on these high-order discretizations we investigate the rate of convergence of iterative solvers applied to CFIER and OS formulations of scattering and transmission problems. We present a variety of numerical results that illustrate that the CFIER methodology leads to important computational savings over the classical CFIE one, whenever iterative solvers are used for the solution of the ensuing discretized boundary integral equations. Finally, we show that the OS methods are competitive in the high-frequency high-contrast regime.

Atmospheric turbulence deteriorates the quality of images captured by long-range imaging systems by introducing blur and geometric distortions to the captured scene. This leads to a drastic drop in performance when computer vision algorithms like object/face recognition and detection are performed on these images. In recent years, various deep learning-based atmospheric turbulence mitigation methods have been proposed in the literature. These methods are often trained using synthetically generated images and tested on real-world images. Hence, the performance of these restoration methods depends on the type of simulation used for training the network. In this paper, we systematically evaluate the effectiveness of various turbulence simulation methods on image restoration. In particular, we evaluate the performance of two state-or-the-art restoration networks using six simulations method on a real-world LRFID dataset consisting of face images degraded by turbulence. This paper will provide guidance to the researchers and practitioners working in this field to choose the suitable data generation models for training deep models for turbulence mitigation. The implementation codes for the simulation methods, source codes for the networks, and the pre-trained models will be publicly made available.

In this paper we generalize Dillon's switching method to characterize the exact $c$-differential uniformity of functions constructed via this method. More precisely, we modify some PcN/APcN and other functions with known $c$-differential uniformity in a controllable number of coordinates to render more such functions. We present several applications of the method in constructing PcN and APcN functions with respect to all $c\neq 1$. As a byproduct, we generalize some result of [Y. Wu, N. Li, X. Zeng, {\em New PcN and APcN functions over finite fields}, Designs Codes Crypt. 89 (2021), 2637--2651]. Computational results rendering functions with low differential uniformity, as well as, other good cryptographic properties are sprinkled throughout the paper.

There has been an arising trend of adopting deep learning methods to study partial differential equations (PDEs). This article is to propose a Deep Learning Galerkin Method (DGM) for the closed-loop geothermal system, which is a new coupled multi-physics PDEs and mainly consists of a framework of underground heat exchange pipelines to extract the geothermal heat from the geothermal reservoir. This method is a natural combination of Galerkin Method and machine learning with the solution approximated by a neural network instead of a linear combination of basis functions. We train the neural network by randomly sampling the spatiotemporal points and minimize loss function to satisfy the differential operators, initial condition, boundary and interface conditions. Moreover, the approximate ability of the neural network is proved by the convergence of the loss function and the convergence of the neural network to the exact solution in L^2 norm under certain conditions. Finally, some numerical examples are carried out to demonstrate the approximation ability of the neural networks intuitively.

This manuscript gives a theoretical framework for a new Hilbert space of functions, the so called occupation kernel Hilbert space (OKHS), that operate on collections of signals rather than real or complex numbers. To support this new definition, an explicit class of OKHSs is given through the consideration of a reproducing kernel Hilbert space (RKHS). This space enables the definition of nonlocal operators, such as fractional order Liouville operators, as well as spectral decomposition methods for corresponding fractional order dynamical systems. In this manuscript, a fractional order DMD routine is presented, and the details of the finite rank representations are given. Significantly, despite the added theoretical content through the OKHS formulation, the resultant computations only differ slightly from that of occupation kernel DMD methods for integer order systems posed over RKHSs.

In this paper, the Lie symmetry analysis is proposed for a space-time convection-diffusion fractional differential equations with the Riemann-Liouville derivative by (2+1) independent variables and one dependent variable. We find a reduction form of our governed fractional differential equation using the similarity solution of our Lie symmetry. One-dimensional optimal system of Lie symmetry algebras is found. We present a computational method via the spectral method based on Bernstein's operational matrices to solve the two-dimensional fractional heat equation with some initial conditions.

The geometric high-order regularization methods such as mean curvature and Gaussian curvature, have been intensively studied during the last decades due to their abilities in preserving geometric properties including image edges, corners, and image contrast. However, the dilemma between restoration quality and computational efficiency is an essential roadblock for high-order methods. In this paper, we propose fast multi-grid algorithms for minimizing both mean curvature and Gaussian curvature energy functionals without sacrificing the accuracy for efficiency. Unlike the existing approaches based on operator splitting and the Augmented Lagrangian method (ALM), no artificial parameters are introduced in our formulation, which guarantees the robustness of the proposed algorithm. Meanwhile, we adopt the domain decomposition method to promote parallel computing and use the fine-to-coarse structure to accelerate the convergence. Numerical experiments are presented on both image denoising and CT reconstruction problem to demonstrate the ability to recover image texture and the efficiency of the proposed method.

Most existing works of polar codes focus on the analysis of block error probability. However, in many scenarios, bit error probability is also important for evaluating the performance of channel codes. In this paper, we establish a new framework to analyze the bit error probability of polar codes. Specifically, by revisiting the error event of bit-channel, we first introduce the conditional bit error probability as a metric to evaluate the reliability of bit-channel for both systematic and non-systematic polar codes. Guided by the concept of polar subcode, we then derive an upper bound on the conditional bit error probability of each bit-channel, and accordingly, an upper bound on the bit error probability of polar codes. Based on these, two types of construction metrics aiming at minimizing the bit error probability of polar codes are proposed, which are of linear computational complexity and explicit forms. Simulation results show that the polar codes constructed by the proposed methods can outperform those constructed by the conventional methods.

Present-day atomistic simulations generate long trajectories of ever more complex systems. Analyzing these data, discovering metastable states, and uncovering their nature is becoming increasingly challenging. In this paper, we first use the variational approach to conformation dynamics to discover the slowest dynamical modes of the simulations. This allows the different metastable states of the system to be located and organized hierarchically. The physical descriptors that characterize metastable states are discovered by means of a machine learning method. We show in the cases of two proteins, Chignolin and Bovine Pancreatic Trypsin Inhibitor, how such analysis can be effortlessly performed in a matter of seconds. Another strength of our approach is that it can be applied to the analysis of both unbiased and biased simulations.

Feature attribution methods are popular in interpretable machine learning. These methods compute the attribution of each input feature to represent its importance, but there is no consensus on the definition of "attribution", leading to many competing methods with little systematic evaluation, complicated in particular by the lack of ground truth attribution. To address this, we propose a dataset modification procedure to induce such ground truth. Using this procedure, we evaluate three common methods: saliency maps, rationales, and attentions. We identify several deficiencies and add new perspectives to the growing body of evidence questioning the correctness and reliability of these methods applied on datasets in the wild. We further discuss possible avenues for remedy and recommend new attribution methods to be tested against ground truth before deployment. The code is available at \url{//github.com/YilunZhou/feature-attribution-evaluation}.

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