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We present a technique for optimizing hundreds of thousands of variational parameters in variational quantum Monte Carlo. By introducing iterative Krylov subspace solvers and by multiplying by the Hamiltonian and overlap matrices as they…

强关联电子 · 物理学 2013-05-30 Eric Neuscamman , C. J. Umrigar , Garnet Kin-Lic Chan

This paper presents enhancement strategies for the Hermitian and skew-Hermitian splitting method based on gradient iterations. The spectral properties are exploited for the parameter estimation, often resulting in a better convergence. In…

数值分析 · 数学 2020-07-08 Qinmeng Zou , Frederic Magoules

Semantic image segmentation is an important computer vision task that is difficult because it consists of both recognition and segmentation. The task is often cast as a structured output problem on an exponentially large output-space, which…

计算机视觉与模式识别 · 计算机科学 2017-09-07 Payman Yadollahpour

In this work we develop a class of high-order finite difference weighted essentially non-oscillatory (FD-WENO) schemes for solving the ideal magnetohydrodynamic (MHD) equations in 2D and 3D. The philosophy of this work is to use efficient…

数值分析 · 数学 2015-06-17 Andrew J. Christlieb , James A. Rossmanith , Qi Tang

As a key task in machine learning, data classification is essentially to find a suitable coordinate system to represent data features of different classes of samples. This paper proposes the mutual-energy inner product optimization method…

机器学习 · 计算机科学 2024-11-12 Yuanxiu Wang

A computational procedure is developed for the efficient calculation of derivatives of integrals over non-separable Gaussian-type basis functions, used for the evaluation of gradients of the total energy in quantum-mechanical simulations.…

材料科学 · 物理学 2023-05-03 Jacques K. Desmarais , Alessandro De Frenza , Alessandro Erba

Functional principal component analysis has become the most important dimension reduction technique in functional data analysis. Based on B-spline approximation, functional principal components (FPCs) can be efficiently estimated by the…

统计方法学 · 统计学 2022-11-10 Shiyuan He , Hanxuan Ye , Kejun He

Missing data occur frequently in a wide range of applications. In this paper, we consider estimation of high-dimensional covariance matrices in the presence of missing observations under a general missing completely at random model in the…

统计方法学 · 统计学 2016-05-17 T. Tony Cai , Anru Zhang

The MHD virial theorem may be used to estimate the magnetic energy of active regions based on vector magnetic fields measured at the photosphere or chromosphere. However, the virial estimate depends on the measured vector magnetic field…

天体物理学 · 物理学 2009-11-13 M. S. Wheatland , T. R. Metcalf

Power electronic equipment regulated by the International Thermonuclear Experimental Reactor (ITER) organization must pass the relevant steady-state magnetic field immunity test. The main body of magnetic field immunity test is magnetic…

仪器与探测器 · 物理学 2022-07-13 Xi Deng , Ya Huang , Chenguang Wan , Li Jiang , Ge Gao , Zhengyi Huang , Jie Zhang

As decarbonization agendas mature, macro-energy systems modelling studies have increasingly focused on enhanced decision support methods that move beyond least-cost modelling to improve consideration of additional objectives and tradeoffs.…

最优化与控制 · 数学 2024-11-26 Michael Lau , Neha Patankar , Jesse D. Jenkins

In this paper, the selective predator harvesting is considered in a predator prey system. The logistic growth of prey and ratio-dependent functional response is assumed. The dynamically varying effort is employed for selective harvesting of…

动力系统 · 数学 2022-03-24 Uganta Yadav , Sunita Gakkhar

This work presents the implementation, numerical examples and experimental convergence study of first- and second-order optimization methods applied to one-dimensional periodic gratings. Through boundary integral equations and shape…

最优化与控制 · 数学 2020-11-04 Rubén Aylwin , Gerardo Silva-Oelker , Carlos Jerez-Hanckes , Patrick Fay

Ordinary differential equations are widely-used in the field of systems biology and chemical engineering to model chemical reaction networks. Numerous techniques have been developed to estimate parameters like rate constants, initial…

分子网络 · 定量生物学 2012-07-06 Daniel Kaschek , Jens Timmer

Many problems in robotics involve both continuous and discrete components, and modeling them together for estimation tasks has been a long standing and difficult problem. Hybrid Factor Graphs give us a mathematical framework to model these…

机器人学 · 计算机科学 2026-05-04 Varun Agrawal , Frank Dellaert

Effective demagnetizing factors that connect the sample magnetic moment with the applied magnetic field are calculated numerically for perfectly diamagnetic samples of various non-ellipsoidal shapes. The procedure is based on calculating…

超导电性 · 物理学 2018-08-01 R. Prozorov , V. G. Kogan

Specialized function gradient computing hardware could greatly improve the performance of state-of-the-art optimization algorithms, e.g., based on gradient descent or conjugate gradient methods that are at the core of control, machine…

Hamiltonian parameter estimation is crucial in condensed matter physics, but time and cost consuming in terms of resources used. With advances in observation techniques, high-resolution images with more detailed information are obtained,…

无序系统与神经网络 · 物理学 2019-11-15 Dingchen Wang , Songrui Wei , Anran Yuan , Fanghua Tian , Kaiyan Cao , Qizhong Zhao , Dezhen Xue , Sen Yang

Latent factor models that integrate data from multiple sources/studies or modalities have garnered considerable attention across various disciplines. However, existing methods predominantly focus either on multi-study integration or…

统计方法学 · 统计学 2025-07-15 Wei Liu , Qingzhi Zhong

State estimation in robotic systems presents significant challenges, particularly due to the prevalence of multimodal posterior distributions in real-world scenarios. One effective strategy for handling such complexity is to compute maximum…

机器人学 · 计算机科学 2026-01-27 Min-Won Seo , Solmaz S. Kia