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Finite Element Approximation for the Delayed Generalized Burgers–Huxley Equation with Weakly Singular Kernel: Part II Nonconforming and DG Approximation 具有弱奇异内核的延迟广义伯格斯-赫胥黎方程的有限元近似:第二部分不符和 DG 近似算法
IF 3.1 2区 数学 Q1 MATHEMATICS, APPLIED Pub Date : 2024-09-19 DOI: 10.1137/23m1612196
Sumit Mahahjan, Arbaz Khan
SIAM Journal on Scientific Computing, Volume 46, Issue 5, Page A2972-A2998, October 2024.
Abstract. In this paper, the numerical approximation of the generalized Burgers–Huxley equation (GBHE) with weakly singular kernels using nonconforming methods will be presented. Specifically, we discuss two new formulations. The first formulation is based on the nonconforming finite element method. The other formulation is based on discontinuous Galerkin finite element methods. The wellposedness results for both formulations are proved. Then, a priori error estimates for both the semidiscrete and fully discrete schemes are derived. Specific numerical examples, including some applications for the GBHE with a weakly singular model, are discussed to validate the theoretical results.
SIAM 科学计算期刊》,第 46 卷第 5 期,第 A2972-A2998 页,2024 年 10 月。 摘要本文将介绍使用非符合方法对具有弱奇异内核的广义伯格斯-赫胥黎方程(GBHE)进行数值逼近。具体来说,我们讨论了两种新的公式。第一种公式是基于不拘泥有限元法。另一种公式基于非连续 Galerkin 有限元方法。我们证明了这两种公式的拟合结果。然后,得出了半离散和完全离散方案的先验误差估计。讨论了具体的数值示例,包括一些弱奇异模型 GBHE 的应用,以验证理论结果。
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引用次数: 0
Robust Iterative Method for Symmetric Quantum Signal Processing in All Parameter Regimes 所有参数状态下对称量子信号处理的稳健迭代法
IF 3.1 2区 数学 Q1 MATHEMATICS, APPLIED Pub Date : 2024-09-13 DOI: 10.1137/23m1598192
Yulong Dong, Lin Lin, Hongkang Ni, Jiasu Wang
SIAM Journal on Scientific Computing, Volume 46, Issue 5, Page A2951-A2971, October 2024.
Abstract. This paper addresses the problem of solving nonlinear systems in the context of symmetric quantum signal processing (QSP), a powerful technique for implementing matrix functions on quantum computers. Symmetric QSP focuses on representing target polynomials as products of matrices in SU(2) that possess symmetry properties. We present a novel Newton’s method tailored for efficiently solving the nonlinear system involved in determining the phase factors within the symmetric QSP framework. Our method demonstrates rapid and robust convergence in all parameter regimes, including the challenging scenario with ill-conditioned Jacobian matrices, using standard double precision arithmetic operations. For instance, solving symmetric QSP for a highly oscillatory target function [math] (polynomial degree [math]) takes 6 iterations to converge to machine precision when [math], and the number of iterations only increases to 18 iterations when [math] with a highly ill-conditioned Jacobian matrix. Leveraging the matrix product state structure of symmetric QSP, the computation of the Jacobian matrix incurs a computational cost comparable to a single function evaluation. Moreover, we introduce a reformulation of symmetric QSP using real-number arithmetics, further enhancing the method’s efficiency. Extensive numerical tests validate the effectiveness and robustness of our approach, which has been implemented in the QSPPACK software package.
SIAM 科学计算期刊》,第 46 卷第 5 期,第 A2951-A2971 页,2024 年 10 月。 摘要对称量子信号处理(QSP)是在量子计算机上实现矩阵函数的一种强大技术,本文探讨了对称量子信号处理背景下的非线性系统求解问题。对称量子信号处理侧重于将目标多项式表示为具有对称特性的 SU(2) 矩阵的乘积。我们提出了一种新颖的牛顿方法,专门用于在对称 QSP 框架内高效求解确定相位因子所涉及的非线性系统。我们的方法使用标准双精度算术运算,在所有参数情况下,包括雅各布矩阵条件不佳的挑战情况下,都表现出快速、稳健的收敛性。例如,求解高度振荡目标函数 [math](多项式度 [math])的对称 QSP 时,当 [math] 时需要 6 次迭代才能收敛到机器精度,而当 [math] 时,迭代次数仅增加到 18 次,且雅各矩阵高度非条件化。利用对称 QSP 的矩阵乘积状态结构,计算雅各布矩阵所需的计算成本与单次函数评估相当。此外,我们还引入了使用实数运算的对称 QSP 重构,进一步提高了该方法的效率。广泛的数值测试验证了我们的方法的有效性和稳健性,该方法已在 QSPPACK 软件包中实现。
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引用次数: 0
Interpolating Parametrized Quantum Circuits Using Blackbox Queries 利用黑盒查询插值参数化量子电路
IF 3.1 2区 数学 Q1 MATHEMATICS, APPLIED Pub Date : 2024-09-13 DOI: 10.1137/23m1609543
Lars Simon, Holger Eble, Hagen-Henrik Kowalski, Manuel Radons
SIAM Journal on Scientific Computing, Volume 46, Issue 5, Page B600-B620, October 2024.
Abstract. This article focuses on developing classical surrogates for parametrized quantum circuits using interpolation via (trigonometric) polynomials. We develop two algorithms for the construction of such surrogates and prove performance guarantees. The constructions are based on circuit evaluations which are blackbox in the sense that no structural specifics of the circuits are exploited. While acknowledging the limitations of the blackbox approach compared to whitebox evaluations, which exploit specific circuit properties, we demonstrate scenarios in which the blackbox approach might prove beneficial. Sample applications include but are not restricted to the approximation of variational quantum eigensolvers and the alleviaton of the barren plateau problem.
SIAM 科学计算期刊》,第 46 卷第 5 期,第 B600-B620 页,2024 年 10 月。 摘要这篇文章的重点是通过(三角)多项式插值,为参数化量子电路开发经典代型。我们开发了两种构建此类代理的算法,并证明了性能保证。这些构造基于电路评估,而电路评估是黑盒的,即没有利用电路的具体结构。与利用特定电路特性的白盒评估相比,我们承认黑盒方法的局限性,但我们展示了黑盒方法可能证明是有益的应用场景。示例应用包括但不限于变分量子求解器的近似和贫瘠高原问题的缓解。
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引用次数: 0
The Sparse-Grid-Based Adaptive Spectral Koopman Method 基于稀疏网格的自适应频谱库普曼方法
IF 3.1 2区 数学 Q1 MATHEMATICS, APPLIED Pub Date : 2024-09-11 DOI: 10.1137/23m1578292
Bian Li, Yue Yu, Xiu Yang
SIAM Journal on Scientific Computing, Volume 46, Issue 5, Page A2925-A2950, October 2024.
Abstract. The adaptive spectral Koopman (ASK) method was introduced to numerically solve autonomous dynamical systems that laid the foundation for numerous applications across different fields in science and engineering. Although ASK achieves high accuracy, it is computationally more expensive for multidimensional systems compared with conventional time integration schemes like Runge–Kutta. In this work, we combine the sparse grid and ASK to accelerate the computation for multidimensional systems. This sparse-grid-based ASK (SASK) method uses the Smolyak structure to construct multidimensional collocation points as well as associated polynomials that are used to approximate eigenfunctions of the Koopman operator of the system. In this way, the number of collocation points is reduced compared with using the tensor product rule. We demonstrate that SASK can be used to solve ordinary differential equations (ODEs) and partial differential equations (PDEs) based on their semidiscrete forms. Numerical experiments are illustrated to compare the performance of SASK and state-of-the-art ODE solvers.
SIAM 科学计算期刊》,第 46 卷第 5 期,第 A2925-A2950 页,2024 年 10 月。 摘要。自适应谱库普曼(ASK)方法用于数值求解自主动力系统,为科学和工程领域的众多应用奠定了基础。虽然 ASK 实现了高精度,但与 Runge-Kutta 等传统时间积分方案相比,它对多维系统的计算成本较高。在这项工作中,我们将稀疏网格和 ASK 结合起来,以加速多维系统的计算。这种基于稀疏网格的 ASK(SASK)方法使用 Smolyak 结构来构建多维定位点以及相关多项式,这些多项式用于近似系统 Koopman 算子的特征函数。与使用张量乘积规则相比,这种方法减少了配准点的数量。我们证明 SASK 可用于求解基于半离散形式的常微分方程和偏微分方程。我们通过数值实验比较了 SASK 和最先进的 ODE 求解器的性能。
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引用次数: 0
Bound-Preserving Framework for Central-Upwind Schemes for General Hyperbolic Conservation Laws 一般双曲守恒定律的中央上风方案的保界框架
IF 3.1 2区 数学 Q1 MATHEMATICS, APPLIED Pub Date : 2024-09-10 DOI: 10.1137/23m1628024
Shumo Cui, Alexander Kurganov, Kailiang Wu
SIAM Journal on Scientific Computing, Volume 46, Issue 5, Page A2899-A2924, October 2024.
Abstract. Central-upwind (CU) schemes are Riemann-problem-solver-free finite-volume methods widely applied to a variety of hyperbolic systems of PDEs. Exact solutions of these systems typically satisfy certain bounds, and it is highly desirable and even crucial for the numerical schemes to preserve these bounds. In this paper, we develop and analyze bound-preserving (BP) CU schemes for general hyperbolic systems of conservation laws. Unlike many other Godunov-type methods, CU schemes cannot, in general, be recast as convex combinations of first-order BP schemes. Consequently, standard BP analysis techniques are invalidated. We address these challenges by establishing a novel framework for analyzing the BP property of CU schemes. To this end, we discover that the CU schemes can be decomposed as a convex combination of several intermediate solution states. Thanks to this key finding, the goal of designing BPCU schemes is simplified to the enforcement of four more accessible BP conditions, each of which can be achieved with the help of a minor modification of the CU schemes. We employ the proposed approach to construct provably BPCU schemes for the Euler equations of gas dynamics. The robustness and effectiveness of the BPCU schemes are validated by several demanding numerical examples, including high-speed jet problems, flow past a forward-facing step, and a shock diffraction problem.
SIAM 科学计算期刊》,第 46 卷第 5 期,第 A2899-A2924 页,2024 年 10 月。 摘要中央上风(CU)方案是一种无黎曼问题求解器的有限体积方法,广泛应用于各种双曲型 PDE 系统。这些系统的精确解通常满足一定的边界,而数值方案保持这些边界是非常理想的,甚至是至关重要的。在本文中,我们开发并分析了一般双曲守恒律系统的保界(BP)CU 方案。与许多其他戈杜诺夫型方法不同,CU 方案一般不能被重塑为一阶 BP 方案的凸组合。因此,标准的 BP 分析技术就失效了。我们通过建立一个分析 CU 方案 BP 特性的新框架来应对这些挑战。为此,我们发现 CU 方案可以分解为多个中间解状态的凸组合。有了这一关键发现,设计 BPCU 方案的目标就简化为执行四个更易实现的 BP 条件,其中每个条件都可以通过对 CU 方案稍加修改来实现。我们采用所提出的方法为气体动力学欧拉方程构建了可证明的 BPCU 方案。BPCU 方案的稳健性和有效性通过几个苛刻的数值示例得到了验证,包括高速射流问题、流过前向台阶问题和冲击衍射问题。
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引用次数: 0
Stable Backward Differentiation Formula Time Discretization of BGN-Based Parametric Finite Element Methods for Geometric Flows 基于 BGN 的几何流参数有限元方法的稳定后向微分公式时间离散化
IF 3.1 2区 数学 Q1 MATHEMATICS, APPLIED Pub Date : 2024-09-06 DOI: 10.1137/23m1625597
Wei Jiang, Chunmei Su, Ganghui Zhang
SIAM Journal on Scientific Computing, Volume 46, Issue 5, Page A2874-A2898, October 2024.
Abstract. We propose a novel class of temporal high-order parametric finite element methods for solving a wide range of geometric flows of curves and surfaces. By incorporating the backward differentiation formula (BDF) for time discretization into the BGN formulation, originally proposed by Barrett, Garcke, and Nürnberg (J. Comput. Phys., 222 (2007), pp. 441–467), we successfully develop high-order BGN/BDF[math] schemes. The proposed BGN/BDF[math] schemes not only retain almost all the advantages of the classical first-order BGN scheme such as computational efficiency and good mesh quality, but also exhibit the desired [math]th-order temporal accuracy in terms of shape metrics, ranging from second-order to fourth-order accuracy. Furthermore, we validate the performance of our proposed BGN/BDF[math] schemes through extensive numerical examples, demonstrating their high-order temporal accuracy for various types of geometric flows while maintaining good mesh quality throughout the evolution.
SIAM 科学计算期刊》,第 46 卷第 5 期,第 A2874-A2898 页,2024 年 10 月。 摘要我们提出了一类新的时间高阶参数有限元方法,用于求解各种曲线和曲面的几何流。通过将用于时间离散化的后向微分公式(BDF)纳入 BGN 公式,该公式最初由 Barrett、Garcke 和 Nürnberg 提出(J. Comput.物理》,222 (2007),第 441-467 页),我们成功开发了高阶 BGN/BDF[math] 方案。所提出的 BGN/BDF[math]方案不仅保留了经典一阶 BGN 方案的几乎所有优点,如计算效率和良好的网格质量,而且在形状度量方面表现出了理想的[math]三阶时间精度,从二阶精度到四阶精度不等。此外,我们还通过大量数值示例验证了我们提出的 BGN/BDF[math] 方案的性能,证明了它们对各种类型的几何流具有高阶时间精度,同时在整个演化过程中保持了良好的网格质量。
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引用次数: 0
Reducing Operator Complexity of Galerkin Coarse-grid Operators with Machine Learning 用机器学习降低伽勒金粗网格算子的运算复杂度
IF 3.1 2区 数学 Q1 MATHEMATICS, APPLIED Pub Date : 2024-09-06 DOI: 10.1137/23m1583533
Ru Huang, Kai Chang, Huan He, Ruipeng Li, Yuanzhe Xi
SIAM Journal on Scientific Computing, Ahead of Print.
Abstract. We propose a data-driven and machine-learning-based approach to compute non-Galerkin coarse-grid operators in multigrid (MG) methods, addressing the well-known issue of increasing operator complexity. Guided by the MG theory on spectrally equivalent coarse-grid operators, we have developed novel machine learning algorithms that utilize neural networks combined with smooth test vectors from multigrid eigenvalue problems. The proposed method demonstrates promise in reducing the complexity of coarse-grid operators while maintaining overall MG convergence for solving parametric partial differential equation problems. Numerical experiments on anisotropic rotated Laplacian and linear elasticity problems are provided to showcase the performance and comparison with existing methods for computing non-Galerkin coarse-grid operators. Reproducibility of computational results. This paper has been awarded the “SIAM Reproducibility Badge: Code and data available” as a recognition that the authors have followed reproducibility principles valued by SISC and the scientific computing community. Code and data that allow readers to reproduce the results in this paper are available at https://github.com/liruipeng/SparseCoarseOperator.
SIAM 科学计算期刊》,提前印刷。 摘要我们提出了一种基于数据驱动和机器学习的方法,用于计算多网格(MG)方法中的非伽勒金粗网格算子,解决了众所周知的算子复杂性不断增加的问题。在关于光谱等效粗网格算子的 MG 理论指导下,我们开发了新颖的机器学习算法,利用神经网络与多网格特征值问题中的平滑测试向量相结合。所提出的方法有望降低粗网格算子的复杂性,同时保持解决参数偏微分方程问题的整体 MG 收敛性。对各向异性旋转拉普拉斯和线性弹性问题进行了数值实验,以展示该方法的性能,并与现有计算非 Galerkin 粗网格算子的方法进行比较。计算结果的可重复性。本文被授予 "SIAM 可重现徽章":代码和数据可用",以表彰作者遵循了 SISC 和科学计算界重视的可重现性原则。读者可通过 https://github.com/liruipeng/SparseCoarseOperator 获取代码和数据,以重现本文中的结果。
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引用次数: 0
Multigrid Preconditioning for Regularized Least-Squares Problems 正则化最小二乘问题的多网格预处理
IF 3.1 2区 数学 Q1 MATHEMATICS, APPLIED Pub Date : 2024-09-05 DOI: 10.1137/23m1583417
Matthias Bolten, Misha E. Kilmer, Scott MacLachlan
SIAM Journal on Scientific Computing, Ahead of Print.
Abstract. In this paper, we are concerned with efficiently solving the sequences of regularized linear least-squares problems associated with employing Tikhonov-type regularization with regularization operators designed to enforce edge recovery. An optimal regularization parameter, which balances the fidelity to the data with the edge-enforcing constraint term, is typically not known a priori. This adds to the total number of regularized linear least-squares problems that must be solved before the final image can be recovered. Therefore, in this paper, we determine effective multigrid preconditioners for these sequences of systems. We focus our approach on the sequences that arise as a result of the edge-preserving method introduced in [S. Gazzola et al., Inverse Problems, 36 (2020), 124004], where we can exploit an interpretation of the regularization term as a diffusion operator; however, our methods are also applicable in other edge-preserving settings, such as iteratively reweighted least-squares problems. Particular attention is paid to the selection of components of the multigrid preconditioner in order to achieve robustness for different ranges of the regularization parameter value. In addition, we present a parameter trimming approach that, when used with the L-curve heuristic, reduces the total number of solves required. We demonstrate our preconditioning and parameter trimming routines on examples in computed tomography and image deblurring.
SIAM 科学计算期刊》,提前印刷。 摘要在本文中,我们关注的是如何高效求解与采用旨在强制恢复边缘的正则化算子的 Tikhonov 型正则化相关的正则化线性最小二乘问题序列。平衡数据保真度和边缘强制约束项的最佳正则化参数通常不是先验已知的。这就增加了在恢复最终图像之前必须解决的正则化线性最小二乘问题的总数。因此,在本文中,我们将为这些系统序列确定有效的多网格预处理。我们的研究重点是[S. Gazzola 等,Inverse Problems,36 (2020),124004] 中介绍的保边方法所产生的序列,在这种情况下,我们可以利用正则化项作为扩散算子的解释;不过,我们的方法也适用于其他保边设置,例如迭代重权最小二乘问题。我们特别关注多网格预处理组件的选择,以便在正则化参数值的不同范围内实现稳健性。此外,我们还介绍了一种参数修剪方法,当与 L 曲线启发式一起使用时,可以减少所需的求解总数。我们以计算机断层扫描和图像去模糊为例,演示了我们的预处理和参数修剪例程。
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引用次数: 0
A New Provably Stable Weighted State Redistribution Algorithm 一种新的可证明稳定的加权状态再分配算法
IF 3.1 2区 数学 Q1 MATHEMATICS, APPLIED Pub Date : 2024-09-04 DOI: 10.1137/23m1597484
Marsha Berger, Andrew Giuliani
SIAM Journal on Scientific Computing, Volume 46, Issue 5, Page A2848-A2873, October 2024.
Abstract. We propose a practical finite volume method on cut cells using state redistribution. Our algorithm is provably monotone, total variation diminishing, and GKS (Gustafsson, Kreiss, Sundström) stable in many situations, and shuts off continuously as the cut cell size approaches a target value. Our analysis reveals why original state redistribution works so well: it results in a monotone scheme for most configurations, though at times subject to a slightly smaller CFL condition. Our analysis also explains why a premerging step is beneficial. We show computational experiments in two and three dimensions.
SIAM 科学计算期刊》,第 46 卷第 5 期,第 A2848-A2873 页,2024 年 10 月。 摘要我们提出了一种使用状态重分布的切割单元有限体积实用方法。我们的算法在很多情况下都能证明是单调的、总变异递减的和 GKS(Gustafsson, Kreiss, Sundström)稳定的,并能在切割单元大小接近目标值时连续关闭。我们的分析揭示了原始状态重分布如此有效的原因:它为大多数配置带来了单调方案,尽管有时会受到稍小的 CFL 条件的限制。我们的分析还解释了为什么预合并步骤是有益的。我们展示了二维和三维的计算实验。
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引用次数: 0
A Domain Decomposition–Based CNN-DNN Architecture for Model Parallel Training Applied to Image Recognition Problems 应用于图像识别问题的基于领域分解的 CNN-DNN 模型并行训练架构
IF 3.1 2区 数学 Q1 MATHEMATICS, APPLIED Pub Date : 2024-09-04 DOI: 10.1137/23m1562202
Axel Klawonn, Martin Lanser, Janine Weber
SIAM Journal on Scientific Computing, Volume 46, Issue 5, Page C557-C582, October 2024.
Abstract. Deep neural networks (DNNs) and, in particular, convolutional neural networks (CNNs) have brought significant advances in a wide range of modern computer application problems. However, the increasing availability of large numbers of datasets and the increasing available computational power of modern computers have led to steady growth in the complexity and size of DNN and CNN models, respectively, and thus, to longer training times. Hence, various methods and attempts have been developed to accelerate and parallelize the training of complex network architectures. In this work, a novel CNN-DNN architecture is proposed that naturally supports a model parallel training strategy and that is loosely inspired by two-level domain decomposition methods (DDMs). First, local CNN models, that is, subnetworks, are defined that operate on overlapping or nonoverlapping parts of the input data, for example, subimages. The subnetworks can be trained completely in parallel and independently of each other. Each subnetwork then outputs a local decision for the given machine learning problem which is exclusively based on the respective local input data. Subsequently, in a second step, an additional DNN model is trained which evaluates the local decisions of the local subnetworks and generates a final, global decision. With respect to the analogy to DDMs, the DNN models can be loosely interpreted as a coarse problem and hence, the new approach can be interpreted as a two-level domain decomposition. In this paper, we apply the proposed architecture to image classification problems using CNNs. Experimental results for different two-dimensional image classification problems are provided, as well as a face recognition problem and a classification problem for three-dimensional computed tomography (CT) scans. Therefore, classical Residual Network (ResNet) and VGG architectures are considered. More modern architectures, such as, e.g., MobileNet2, are left for future work. The results show that the proposed approach can significantly accelerate the required training time compared to the global model and, additionally, can also help to improve the accuracy of the underlying classification problem.
SIAM 科学计算期刊》,第 46 卷第 5 期,第 C557-C582 页,2024 年 10 月。 摘要深度神经网络(DNN),尤其是卷积神经网络(CNN),在解决现代计算机应用问题方面取得了重大进展。然而,随着大量数据集的不断出现和现代计算机计算能力的不断提高,DNN 和 CNN 模型的复杂性和规模也在稳步增长,从而导致训练时间的延长。因此,人们开发了各种方法和尝试来加速和并行化复杂网络架构的训练。在这项工作中,我们提出了一种新型 CNN-DNN 架构,该架构自然支持模型并行训练策略,其灵感来源于两级领域分解方法(DDM)。首先,定义局部 CNN 模型,即子网络,对输入数据的重叠或非重叠部分(如子图像)进行操作。这些子网络可以完全并行且相互独立地进行训练。然后,每个子网络针对给定的机器学习问题输出一个本地决策,该决策完全基于各自的本地输入数据。随后,在第二步中,再训练一个 DNN 模型,对本地子网络的局部决策进行评估,并生成最终的全局决策。与 DDM 类似,DNN 模型可被宽泛地解释为一个粗略的问题,因此,新方法可被解释为两级领域分解。在本文中,我们将提出的架构应用于使用 CNN 的图像分类问题。本文提供了不同二维图像分类问题、人脸识别问题和三维计算机断层扫描(CT)分类问题的实验结果。因此,我们考虑了经典的残差网络(ResNet)和 VGG 架构。更现代的架构,如 MobileNet2 等,则留待今后工作中考虑。结果表明,与全局模型相比,所提出的方法可以大大加快所需的训练时间,此外,还有助于提高基础分类问题的准确性。
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引用次数: 0
期刊
SIAM Journal on Scientific Computing
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