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An adaptive block Bregman proximal gradient method for computing stationary states of multicomponent phase-field crystal model

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arXiv 2020年

作者： Bao, Chenglong Chen, Chang Jiang, Kai Yau Mathematical Sciences Center Tsinghua University Beijing100084 China School of Mathematics and Computational Science Hunan Key Laboratory for Computation and Simulation in Science and Engineering Xiangtan University Hunan Xiangtan411105 China

In this paper, we compute the stationary states of the multicomponent phase-field crystal model by formulating it as a block constrained minimization problem. The original infinite-dimensional non-convex minimization problem is approximated by a finite-dimensional constrained non-convex minimization problem after an appropriate spatial discretization. To efficiently solve the above optimization problem, we propose a so-called adaptive block Bregman proximal gradient (AB-BPG) algorithm that fully exploits the problem's block structure. The proposed method updates each order parameter alternatively, and the update order of blocks can be chosen in a deterministic or random manner. Besides, we choose the step size by developing a practical linear search approach such that the generated sequence either keeps energy dissipation or has a controllable subsequence with energy dissipation. The convergence property of the proposed method is established without the requirement of global Lipschitz continuity of the derivative of the bulk energy part by using the Bregman divergence. The numerical results on computing stationary ordered structures in binary, ternary, and quinary component coupled-mode Swift-Hohenberg models have shown a significant acceleration over many existing methods. Copyright © 2020, The Authors. All rights reserved.

关键词： Gradient methods

Energy-Efficient Virtual Machine Placement in Data Centers Via Accelerated Genetic Algorithm with Improved Fitness computation

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SSRN

SSRN 2021年

作者： Hormozi, Elham Hu, Shuwen Ding, Zhe Tian, Yu-Chu Wang, You-Gan Yu, Zu-Guo Zhang, Weizhe School of Computer Science Queensland University of Technology GPO Box 2434 BrisbaneQLD4001 Australia School of Mathematical Sciences Queensland University of Technology GPO Box 2434 BrisbaneQLD4001 Australia Key Laboratory of Intelligent Computing and Information Processing of Ministry of Education Hunan Key Laboratory for Computation and Simulation in Science and Engineering Xiangtan University Hunan Xiangtan411105 China School of Cyberspace Science Harbin Institute of Technology Harbin China Cyberspace Security Research Center Peng Cheng Laboratory Shenzhen China Queensland University of Technology

Energy efficiency basically refers to how effectively energy can be utilised or consumed by any virtualised data centre giving cloud administrations.&#1.0;Since Genetic Algorithm (GA) is an acceptable method to solve ... 详细信息

Energy efficiency basically refers to how effectively energy can be utilised or consumed by any virtualised data centre giving cloud administrations. Since Genetic Algorithm (GA) is an acceptable method to solve the VM placement problem, this research formulates the Virtual Machine (VM) placement problem as a constrained optimisation problem. A considerable amount of residual resources is available for each new VM allocation, however they are distributed across multiple active PMs, rendering them inefficient. Our research focuses on improving a data centre’s energy and time efficiency by devising a technique to decrease PM’s residual resources and make them more valuable. As the most time consuming element of a GA is calculating the fitness function, this paper presents a new fitness function to simplify the fitness function calculation in GA. The results are compared to the standard GA and First Fit Decreasing (FFD) algorithm. The findings reveals a 8% energy savings for our GA compared to FFD and a 66% reduction in our GA execution time compared to the standard GA for virtualised data centres. The simulation experiments are conducted on small-, medium- and large-scale of the google data centre to demonstrate the effectiveness of our GA. © 2021. The Authors. All rights reserved.

关键词： Energy efficiency

Multicontinuum homogenization for coupled flow and transport equations

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Journal of computational and Applied Mathematics 2026年 471卷

作者： Dmitry Ammosov Jian Huang Wing Tat Leung Buzheng Shan Computational Technologies & Artificial Intelligence North-Eastern Federal University Yakutsk 677980 Russia School of Mathematics and Computational Science Xiangtan University National Center for Applied Mathematics in Hunan and Hunan Key Laboratory for Computation and Simulation in Science and Engineering Xiangtan 411105 Hunan China Department of Mathematics City University of Hong Kong Hong Kong Department of Mathematics Texas A&M University College Station TX 77843 USA

In this paper, we present the derivation of a multicontinuum model for the coupled flow and transport equations by applying multicontinuum homogenization. We perform the multicontinuum expansion for both flow and transport solutions and formulate novel coupled constraint cell problems to capture the multiscale property, where oversampled regions are utilized to avoid boundary effects. Assuming the smoothness of macroscopic variables, we obtain a multicontinuum system composed of macroscopic elliptic equations and convection–diffusion–reaction equations with homogenized effective properties. Finally, we present numerical results for various coefficient fields and boundary conditions to validate our proposed algorithm.

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Multifractal temporally weighted detrended partial cross-correlation analysis to quantify intrinsic power-law cross-correlation of two non-stationary time series affected by common external factors

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arXiv 2020年

作者： Li, Bao-Gen Ling, Dian-Yi Yu, Zu-Guo Key Laboratory of Intelligent Computing and Information Processing Ministry of Education Hunan Key Laboratory for Computation and Simulation in Science and Engineering Xiangtan University Xiangtan Hunan411105 China School of Electrical Engineering and Computer Science Queensland University of Technology GPO Box 2434 BrisbaneQ4001 Australia

When common factors strongly influence two cross-correlated time series recorded in complex natural and social systems, the results will be biased if we use multifractal detrended cross-correlation analysis (MF-DXA) without considering these common factors. Based on multifractal temporally weighted detrended cross-correlation analysis (MF-TWXDFA) proposed by our group and multifractal partial cross-correlation analysis (MF-DPXA) proposed by Qian et al., we propose a new method-multifractal temporally weighted detrended partial cross-correlation analysis (MF-TWDPCCA) to quantify intrinsic power-law cross-correlation of two non-stationary time series affected by common external factors in this paper. We use MF-TWDPCCA to characterize the intrinsic cross-correlations between the two simultaneously recorded time series by removing the effects of other potential time series. To test the performance of MF-TWDPCCA, we apply it, MF-TWXDFA and MF-DPXA on simulated series. Numerical tests on artificially simulated series demonstrate that MF-TWDPCCA can accurately detect the intrinsic cross-correlations for two simultaneously recorded series. To further show the utility of MF-TWDPCCA, we apply it on time series from stock markets and find that there exists significantly multifractal power-law cross-correlation between stock returns. A new partial cross-correlation coefficient is defined to quantify the level of intrinsic cross-correlation between two time series. Copyright © 2020, The Authors. All rights reserved.

关键词： Fractals

Piecewise divergence-free nonconforming virtual elements for stokes problem in any dimensions

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arXiv 2020年

作者： Wei, Huayi Huang, Xuehai Li, Ao Hunan Key Laboratory for Computation and Simulation in Science and Engineering School of Mathematics and Computational Science Xiangtan University Xiangtan411105 China School of Mathematics Shanghai University of Finance and Economics Shanghai200433 China

Piecewise divergence-free nonconforming virtual elements are designed for Stokes problem in any dimensions. After introducing a local energy projector based on the Stokes problem and the stabilization, a divergence-free nonconforming virtual element method is proposed for Stokes problem. A detailed and rigorous error analysis is presented for the discrete method. An important property in the analysis is that the local energy projector commutes with the divergence operator. With the help of a divergence-free interpolation operator onto a generalized Raviart-Thomas element space, a pressure-robust nonconforming virtual element method is developed by simply modifying the right hand side of the previous discretization. A reduced virtual element method is also discussed. Numerical results are provided to verify the theoretical *** Codes 76D07, 65N1., 65N22, 65N30 Copyright © 2020, The Authors. All rights reserved.

关键词： Navier Stokes equations

Hybrid Allen-Cahn-based lattice Boltzmann model for incompressible two-phase flows: The reduction of numerical dispersion

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Physical Review E 2019年第2期99卷 023302-023302页

作者： Yang Hu Decai Li Licong Jin Xiaodong Niu Shi Shu Hunan Key Laboratory for Computation and Simulation in Science and Engineering Xiangtan University Xiangtan 411105 People's Republic of China

In this work a phase field-lattice Boltzmann model for incompressible two-phase flows is presented. In this model, the interface tracking equation is a linear combination of the local and nonlocal Allen-Cahn equations. We also propose a multiple-relaxation-time lattice Boltzmann model for solving the hybrid Allen-Cahn equation. The second-order convergence rate of the present model in space is validated by simulating the diagonal translation of circular interface. Three other numerical tests, including static bubble immersed in another fluid, bubble rising under gravity, and droplet splashing on a thin liquid film, are simulated to verify the performance of the present model in reducing the numerical dispersion. The numerical results indicate that the order parameter fluctuation can be reduced by one order of magnitude in bulk region.

关键词： Multiphase flows Lattice-Boltzmann methods

DeePMD-kit v3: A Multiple-Backend Framework for Machine Learning Potentials

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arXiv 2025年

作者： Zeng, Jinzhe Zhang, Duo Peng, Anyang Zhang, Xiangyu He, Sensen Wang, Yan Liu, Xinzijian Bi, Hangrui Li, Yifan Cai, Chun Zhang, Chengqian Du, Yiming Zhu, Jia-Xin Mo, Pinghui Huang, Zhengtao Zeng, Qiyu Shi, Shaochen Qin, Xuejian Yu, Zhaoxi Luo, Chenxing Ding, Ye Liu, Yun-Pei Shi, Ruosong Wang, Zhenyu Bore, Sigbjørn Løland Chang, Junhan Deng, Zhe Ding, Zhaohan Han, Siyuan Jiang, Wanrun Ke, Guolin Liu, Zhaoqing Lu, Denghui Muraoka, Koki Oliaei, Hananeh Singh, Anurag Kumar Que, Haohui Xu, Weihong Xu, Zhangmancang Zhuang, Yong-Bin Dai, Jiayu Giese, Timothy J. Jia, Weile Xu, Ben York, Darrin M. Zhang, Linfeng Wang, Han School of Artificial Intelligence and Data Science Unversity of Science and Technology of China Hefei China AI for Science Institute Beijing100080 China DP Technology Beijing100080 China Academy for Advanced Interdisciplinary Studies Peking University Beijing100871 China State Key Lab of Processors Institute of Computing Technology Chinese Academy of Sciences Beijing100871 China University of Chinese Academy of Sciences Beijing China Baidu Inc. Beijing China Department of Computer Science University of Toronto TorontoON Canada Department of Chemistry Princeton University PrincetonNJ08540 United States University of Chinese Academy of Sciences Beijing100871 China State Key Laboratory of Physical Chemistry of Solid Surfaces iChEM College of Chemistry and Chemical Engineering Xiamen University Xiamen361005 China College of Integrated Circuits Hunan University Changsha410082 China State Key Laboratory of Advanced Technology for Materials Synthesis and Processing Center for Smart Materials and Device Integration School of Material Science and Engineering Wuhan University of Technology Wuhan430070 China College of Science National University of Defense Technology Changsha410073 China Hunan Key Laboratory of Extreme Matter and Applications National University of Defense Technology Changsha410073 China ByteDance Research Beijing100098 China Ningbo Institute of Materials Technology and Engineering Chinese Academy of Sciences Ningbo315201 China College of Materials Science and Opto-Electronic Technology University of Chinese Academy of Sciences Beijing100049 China Key Laboratory of Theoretical and Computational Photochemistry of Ministry of Education College of Chemistry Beijing Normal University Beijing100875 China Department of Geosciences Princeton University PrincetonNJ08544 United States Department of Applied Physics and Applied Mathematics Columbia University New YorkNY10027 United States IKKEM Fujian Xiamen361005 China Graduate

In recent years, machine learning potentials (MLPs) have become indispensable tools in physics, chemistry, and materials science, driving the development of software packages for molecular dynamics (MD) {1.s and related applications. These packages, typically built on specific machine learning frameworks such as TensorFlow, PyTorch, or JAX, face integration challenges when advanced applications demand communication across different frameworks. The previous TensorFlow-based implementation of DeePMD-kit exemplified these limitations. In this work, we introduce DeePMD-kit version 3, a significant update featuring a multi-backend framework that supports TensorFlow, PyTorch, JAX, and PaddlePaddle backends, and demonstrate the versatility of this architecture through the integration of other MLPs packages and of Differentiable Molecular Force Field. This architecture allows seamless backend switching with minimal modifications, enabling users and developers to integrate DeePMD-kit with other packages using different machine learning frameworks. This innovation facilitates the development of more complex and interoperable workflows, paving the way for broader applications of MLPs in scientific research. Copyright © 2025, The Authors. All rights reserved.

关键词： Molecular dynamics

Numerical homogenization of elastoplastic deformations of composite material with small proportion of inclusions 4

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Numerical homogenization of elastoplastic deformations of co...

4th International Conference on Supercomputer Technologies of Mathematical Modelling, SCTeMM 201.

作者： Sivtsev, Petr V. Kolesov, Aleksandr E. Zakharov, Petr E. Yang, Ying Research Laboratory multiscale Matheatical Modeling and Computing Ammosov North-Eastern Federal University Belinskogo 58 Yakutsk677000 Russia Hunan Key Laboratory for Computation and Simulation in Science and Engineering School of Mathematics and Computational Science Xiangtan University Xiangtan Hunan411105 China

Numerical simulation of the stress-strain state of a composite material may be difficult due to large {1.al complexity associated with a grid resolution of a large number of inclusions. To overcome the problem one may use the homogenization method. But for material with plastic properties, proper modeling of yield stress and hardening may be overcomplicated. In this work we use some simplification associated with a small proportion of inclusions and restriction of stress values by matrix material strength. As model problem, we use deformation of concrete deep beam reinforced with steel or basalt fiber inclusions. For the numerical solution, the finite element method was applied using the FEniCS computing platform. © Published under licence by IOP Publishing Ltd.

关键词： Homogenization method

On the vanishing dissipation limit for the incompressible MHD equations on bounded domains

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arXiv 2020年

作者： Duan, Qin Xiao, Yuelong Xin, Zhouping Hunan Key Laboratory for Computation and Simulation in Science and Engineering School of Mathematics and Computational Science Xiangtan University China College of Mathematics and Statistics Shenzhen University China Institute of Mathematical Sciences Chinese University of Hong Kong Hong Kong

In this paper, we investigate the solvability, regularity and the vanishing dissipation limit of solutions to the three-dimensional viscous magneto-hydrodynamic (MHD) equations in bounded domains. On the boundary, the velocity field fulfills a Navier-slip condition, while the magnetic field satisfies the insulating condition. It is shown that the initial-boundary problem has a global weak solution for a general smooth domain. More importantly, for a flat domain, we establish the uniform local well-posedness of the strong solution with higher order uniform regularity and the asymptotic convergence with a rate to the solution of the ideal MHD as the dissipation tends to zero. Copyright © 2020, The Authors. All rights reserved.

关键词： Initial value problems