检索结果-内蒙古大学图书馆

Cloaking the underlying long-range order of randomly perturbed lattices

学校读者我要写书评

暂无评论

arXiv 2020年

作者： Klatt, Michael Andreas Kim, Jaeuk Torquato, Salvatore Department of Physics Princeton University PrincetonNJ08544 United States Department of Chemistry Princeton Institute for the Science and Technology of Materials Program in Applied and Computational Mathematics Princeton University PrincetonNJ08544 United States

Random, uncorrelated displacements of particles on a lattice preserve the hyperuniformity of the original lattice, that is, normalized density fluctuations vanish in the limit of infinite wavelengths. In addition to a diffuse contribution, the scattering intensity from the the resulting point pattern typically inherits the Bragg peaks (long-range order) of the original lattice. Here we demonstrate how these Bragg peaks can be hidden in the effective diffraction pattern of independent and identically distributed perturbations. All Bragg peaks vanish if and only if the sum of all probability densities of the positions of the shifted lattice points is a constant at all positions. The underlying long-range order is then ‘cloaked’ in the sense that it cannot be reconstructed from the pair correlation function alone. On the one hand, density fluctuations increase monotonically with the strength of perturbations a, as measured by the hyperuniformity order metric Λ. On the other hand, the disappearance and reemergence of long-range order, depending on whether the system is cloaked or not as the perturbation strength increases, is manifestly captured by the τ order metric. Therefore, while the perturbation strength a may seem to be a natural choice for an order metric of perturbed lattices, the τ order metric is a superior choice. It is noteworthy that cloaked perturbed lattices allow one to easily simulate very large samples (with at least 106 particles) of disordered hyperuniform point patterns without Bragg peaks. Copyright © 2020, The Authors. All rights reserved.

关键词：

Local number fluctuations in hyperuniform and nonhyperuniform systems: Higher-order moments and distribution functions

学校读者我要写书评

暂无评论

arXiv 2020年

作者： Torquato, Salvatore Kim, Jaeuk Klatt, Michael A. Department of Physics Princeton University PrincetonNJ08544 United States Department of Chemistry Princeton Institute for the Science and Technology of Materials Program in Applied and Computational Mathematics Princeton University PrincetonNJ08544 United States

The local number variance σ2(R) associated with a spherical sampling window of radius R enables a classification of many-particle systems in d-dimensional Euclidean space Rd according to the degree to which large-scale density fluctuations are suppressed, resulting in a demarcation between hyperuniform and nonhyperuniform phyla. To more completely characterize density fluctuations, we carry out an extensive study of higher-order moments or cumulants, including the skewness γ1(R), excess kurtosis γ2(R) and the corresponding probability distribution function P[N(R)] of a large family of models across the first three space dimensions, including both hyperuniform and nonhyperuniform systems with varying degrees of short- and long-range order. To carry out this comprehensive program, we derive new theoretical results that apply to general point processes and conduct high-precision numerical studies. Specifically, we derive explicit closed-form integral expressions for γ1(R) and γ2(R) that encode structural information up to three-body and four-body correlation functions, respectively. We also derive rigorous bounds on γ1(R), γ2(R) and P[N(R)] for general point processes and corresponding exact results for general packings of identical spheres. High-quality simulation data for γ1(R), γ2(R) and P[N(R)] are generated for each model. We also ascertain the proximity of P[N(R)] to the normal distribution via a novel Gaussian "distance" metric l2(R). Among all models, the convergence to a central limit theorem (CLT) is generally fastest for the disordered hyperuniform processes such that γ1(R) ∼ l2(R) ∼ R-(d+1)/2 and γ2(R) ∼ R-(d+1) for large R. The convergence to a CLT is slower for standard nonhyperuniform models and slowest for the "antihyperuniform" model studied here. We prove that one-dimensional hyperuniform systems of class I or any d-dimensional lattice cannot obey a CLT. Remarkably, we discovered that the gamma distribution provides a good approximation to P[N(R)] for

关键词： Higher order statistics

Unbiased Approximations for Stationary Distributions of McKean-Vlasov SDEs

学校读者我要写书评

暂无评论

arXiv 2024年

作者： Awadelkarim, Elsiddig Chada, Neil K. Jasra, Ajay Applied Mathematics and Computational Science Program Computer Electrical and Mathematical Sciences and Engineering Division King Abdullah University of Science and Technology Thuwal23955-6900 Saudi Arabia Department of Mathematics City University of Hong Kong Hong Kong School of Data Science The Chinese University of Hong Kong Shenzhen Shenzhen China

We consider the development of unbiased estimators, to approximate the stationary distribution of Mckean-Vlasov stochastic differential equations (MVSDEs). These are an important class of processes, which frequently appear in applications such as mathematical finance, biology and opinion dynamics. Typically the stationary distribution is unknown and indeed one cannot simulate such processes exactly. As a result one commonly requires a time-discretization scheme which results in a discretization bias and a bias from not being able to simulate the associated stationary distribution. To overcome this bias, we present a new unbiased estimator taking motivation from the literature on unbiased Monte Carlo. We prove the unbiasedness of our estimator, under assumptions. In order to prove this we require developing ergodicity results of various discrete time processes, through an appropriate discretization scheme, towards the invariant measure. Numerous numerical experiments are provided, on a range of MVSDEs, to demonstrate the effectiveness of our unbiased estimator. Such examples include the Currie-Weiss model, a 3D neuroscience model and a parameter estimation problem. © 2024, CC BY-NC-SA.

关键词： Stochastic systems

Particle swarm optimization with local search for height-map surface reconstruction from point clouds in reverse engineering

学校读者我要写书评

暂无评论

Neural Computing and Applications 2024年 1-20页

作者： Gálvez, Akemi Fister, Iztok Deb, Suash Fister, Iztok Iglesias, Andrés Dept. of Applied Mathematics and Computational Sciences E.T.S.I. Caminos Canales y Puertos University of Cantabria Avda. de los Castros s/n Santander39005 Spain Faculty of Pharmaceutical Sciences Toho University 2-2-1 Miyama Funabashi274-8510 Japan Faculty of Electrical Engineering and Computer Science University of Maribor Koroska cesta 34 Maribor2000 Slovenia IT & Educational Consultant Ranchi India Distinguished Professorial Associate Decision Sciences and Modeling Program Victoria University Melbourne Australia

Surface reconstruction is a classical process in industrial engineering and manufacturing, particularly in reverse engineering, where the goal is to obtain a digital model from a physical object. For that purpose, the real object is typically scanned or digitized and the resulting point cloud is then fitted to mathematical surfaces through numerical optimization. The choice of the approximating functions is crucial for the accuracy of the process. Real-world objects such as manufactured workpieces often require complex nonlinear approximating functions, which are not well suited for standard numerical methods. In a previous paper presented at the ISMSI 2023 conference, we addressed this issue by using manually selected approximation functions via optimization through the cuckoo search algorithm with Lévy flights. Building upon that work, this paper presents an enhanced and extended method for surface reconstruction by using height-map surfaces obtained through a combination of exponential, polynomial and logarithmic functions. A feasible approach for this goal is to consider continuous bivariate distribution functions, which ensures consistent models along with good mathematical properties for the output shapes, such as smoothness and integrability. However, this approach leads to a difficult multivariate, constrained, multimodal continuous nonlinear optimization problem. To tackle this issue, we apply particle swarm optimization, a popular swarm intelligence technique for continuous optimization. The method is hybridized with a local search procedure for further improvement of the solutions and applied to a benchmark of 15 illustrative examples of point clouds fitted to different surface models. The performance of the method is analyzed through several computational experiments. The numerical and graphical results show that the method is able to recover the shape of the point clouds accurately and automatically. Furthermore, our approach outperforms other alternati

关键词： Particle swarm optimization (PSO)

Implementation of contact line motion based on the phase-field lattice Boltzmann method

学校读者我要写书评

暂无评论

Physical Review E 2024年第4期109卷 045307-045307页

作者： Long Ju Zhaoli Guo Bicheng Yan Shuyu Sun Computational Transport Phenomena Laboratory (CTPL) King Abdullah University of Science and Technology (KAUST) Thuwal 23955-6900 Kingdom of Saudi Arabia Institute of Interdisciplinary Research for Mathematics and Applied Science Huazhong University of Science and Technology Wuhan 430074 China Energy Resource and Petroleum Engineering Program Physical Science and Engineering Division King Abdullah University of Science and Technology (KAUST) Thuwal 23955-6900 Kingdom of Saudi Arabia

This paper proposes a strategy to implement the free-energy-based wetting boundary condition within the phase-field lattice Boltzmann method. The greatest advantage of the proposed method is that the implementation of contact line motion can be significantly simplified while still maintaining good accuracy. For this purpose, the liquid-solid free energy is treated as a part of the chemical potential instead of the boundary condition, thus avoiding complicated interpolations with irregular geometries. Several numerical testing cases, including droplet spreading processes on the idea flat, inclined, and curved boundaries, are conducted, and the results demonstrate that the proposed method has good ability and satisfactory accuracy to simulate contact line motions.

关键词： Contact line dynamics Wetting Lattice-Boltzmann methods

An Improved Unbiased Particle Filter

学校读者我要写书评

暂无评论

arXiv 2023年

作者： Jasra, Ajay Maama, Mohamed Ombao, Hernando Applied Mathematics and Computational Science Program Computer Electrical and Mathematical Sciences and Engineering Division King Abdullah University of Science and Technology Thuwal23955-6900 Saudi Arabia Statistics Program Computer Electrical and Mathematical Sciences and Engineering Division King Abdullah University of Science and Technology Thuwal23955-6900 Saudi Arabia

In this paper we consider the filtering of partially observed multi-dimensional diffusion processes that are observed regularly at discrete times. We assume that, for numerical reasons, one has to time-discretize the diffusion process which typically leads to filtering that is subject to discretization bias. The approach in [16] establishes that when only having access to the time discretized diffusion it is possible to remove the discretization bias with an estimator of finite variance. We improve on the method in [16] by introducing a modified estimator based on the recent work of [17]. We show that this new estimator is unbiased and has finite variance. Moreover, we conjecture and verify in numerical simulations that substantial gains are obtained. That is, for a given mean square error (MSE) and a particular class of multi-dimensional diffusion, the cost to achieve the said MSE falls. Copyright © 2023, The Authors. All rights reserved.

关键词： Mean square error

Instantaneous Radar Polarimetry with Multiple Dually-polarized Antennas

学校读者我要写书评

暂无评论

Instantaneous Radar Polarimetry with Multiple Dually-polariz...

Asilomar Conference on Signals, Systems & Computers

作者： A. R. Calderbank S. D. Howard W. Moran A. Pezeshki M. Zoltowski Program Applied and Computational Mathematics Princeton University Princeton NJ USA Defence Science and Technology Organization Edinburgh Australia Electrical Engineering and Computer Science University of Melbourne Melbourne Australia Electrical and Computer Engineering Purdue University West Lafayette IN USA

Fully polarimetric radar systems are capable of simultaneously transmitting and receiving in two orthogonal polarizations. Instantaneous radar polarimetry exploits both polarization modes of a dually-polarized radar transmitter and receiver on a pulse by pulse basis, and can improve the radar detection performance and suppress range sidelobes . In this paper, we extend the use of instantaneous radar polarimetry for radar systems with multiple dually-polarized transmit and receive antennas. Alamouti signal processing is used to coordinate transmission of Golay pairs of phase codes waveforms across polarizations and multiple antennas. The integration of multi- antenna signal processing with instantaneous radar polarimetry can further improve the detection performance, at a computational cost comparable to single channel matched filtering.

关键词： Radar polarimetry Radar antennas Polarization Radar detection Radar signal processing Transmitters Receiving antennas Transmitting antennas computational efficiency Matched filters

Parameter Estimation for Partially Observed McKean-Vlasov Diffusions

学校读者我要写书评

暂无评论

arXiv 2024年

作者： Jasra, Ajay Maama, Mohamed Tempone, Raul School of Data Science The Chinese University of Hong Kong CN Shenzhen China Applied Mathematics and Computational Science Program Computer Electrical and Mathematical Sciences and Engineering Division King Abdullah University of Science and Technology Thuwal23955-6900 Saudi Arabia Chair of Mathematics for Uncertainty Quantification RWTH Aachen University Aachen52062 Germany

In this article we consider likelihood-based estimation of static parameters for a class of partially observed McKean-Vlasov (POMV) diffusion process with discrete-time observations over a fixed time interval. In particular, using the framework of [5] we develop a new randomized multilevel Monte Carlo method for estimating the parameters, based upon Markovian stochastic approximation methodology. New Markov chain Monte Carlo algorithms for the POMV model are introduced facilitating the application of [5]. We prove, under assumptions, that the expectation of our estimator is biased, but with expected small and controllable bias. Our approach is implemented on several examples. Copyright © 2024, The Authors. All rights reserved.

关键词： Stochastic systems

DP-GEN: A concurrent learning platform for the generation of reliable deep learning based potential energy models

学校读者我要写书评

暂无评论

arXiv 2019年

作者： Wang, Haidi Chen, Weijie Zeng, Jinzhe Zhang, Linfeng Wang, Han Zhang, Yuzhi Weinan, E. Yuanpei College of Peking University Beijing100871 China School of Electronic Science and Applied Physics Hefei University of Technology Hefei230601 China Academy for Advanced Interdisciplinary Studies Peking University Beijing100871 China School of Chemistry and Molecular Engineering East China Normal University Shanghai200062 China Program in Applied and Computational Mathematics Princeton University PrincetonNJ United States Laboratory of Computational Physics Institute of Applied Physics and Computational Mathematics Huayuan Road 6 Beijing100088 China Beijing Institute of Big Data Research Beijing100871 China Program in Applied and Computational Mathematics Princeton University PrincetonNJ United States Beijing Institute of Big Data Research Beijing100871 China

In recent years, promising deep learning based interatomic potential energy surface (PES) models have been proposed that can potentially allow us to perform molecular dynamics simulations for large scale systems with quantum accuracy. However, making these models truly reliable and practically useful is still a very non-trivial task. A key component in this task is the generation of datasets used in model training. In this paper, we introduce the Deep Potential GENerator (DP-GEN), an open-source software platform that implements the recently proposed"on-the-fly" learning procedure [Phys. Rev. Materials 3, 023804] and is capable of generating uniformly accurate deep learning based PES models in a way that minimizes human intervention and the computational cost for data generation and model training. DP-GEN automatically and iteratively performs three steps: exploration, labeling, and training. It supports various popular packages for these three steps: LAMMPS for exploration, Quantum Espresso, VASP, CP2K, etc. for labeling, and DeePMD-kit for training. It also allows automatic job submission and result collection on different types of machines, such as high performance clusters and cloud machines, and is adaptive to different job management tools, including Slurm, PBS, and LSF. As a concrete example, we illustrate the details of the process for generating a general-purpose PES model for Cu using DP-GEN. Copyright © 2019, The Authors. All rights reserved.

关键词： Potential energy