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A linear algebraic method named the shifted conjugate-orthogonal-conjugate-gradient method is introduced for large-scale electronic structure calculation. The method gives an iterative solver algorithm of the Green's function and the…

Materials Science · Physics 2007-05-23 R. Takayama , T. Hoshi , T. Sogabe , S. -L. Zhang , T. Fujiwara

In this paper, the Green's function and decomposition technique is proposed for solving the coupled Lane-Emden equations. This approach depends on constructing Green's function before establishing the recursive scheme for the series…

Numerical Analysis · Mathematics 2020-05-25 Randhir Singh

GreenLearning networks (GL) directly learn Green's function in physical space, making them an interpretable model for capturing unknown solution operators of partial differential equations (PDEs). For many PDEs, the corresponding Green's…

Numerical Analysis · Mathematics 2024-07-08 Ye Lin , Young Ju Lee , Jiwei Jia

Deep Reinforcement Learning has enabled the learning of policies for complex tasks in partially observable environments, without explicitly learning the underlying model of the tasks. While such model-free methods achieve considerable…

Machine Learning · Computer Science 2017-01-11 Tanmay Shankar , Santosha K. Dwivedy , Prithwijit Guha

Inhomogeneous dynamical mean-field theory has been employed to solve many interesting strongly interacting problems from transport in multilayered devices to the properties of ultracold atoms in a trap. The main computational step,…

Strongly Correlated Electrons · Physics 2011-02-17 Pierre Carrier , Jok M. Tang , Yousef Saad , James K. Freericks

Despite achieving state-of-the-art performance, deep learning methods generally require a large amount of labeled data during training and may suffer from overfitting when the sample size is small. To ensure good generalizability of deep…

Computer Vision and Pattern Recognition · Computer Science 2020-06-30 Xiaoxu Li , Liyun Yu , Xiaochen Yang , Zhanyu Ma , Jing-Hao Xue , Jie Cao , Jun Guo

We propose a method to reduce the computational effort to solve a partial differential equation on a given domain. The main idea is to split the domain of interest in two subdomains, and to use different approximation methods in each of the…

Classical Physics · Physics 2007-12-06 Marcelo Buffoni , Haysam Telib , Angelo Iollo

We present and review an efficient method to calculate the retarded Green's function in multi-terminal nanostructures; which is needed in order to calculate the conductance through the system and the local particle densities within it. The…

Mesoscale and Nanoscale Physics · Physics 2015-06-16 G. Thorgilsson , G. Viktorsson , S. I. Erlingsson

We present a machine-learning approach to a long-standing issue in quantum many-body physics, namely, analytic continuation. This notorious ill-conditioned problem of obtaining spectral function from imaginary time Green's function has been…

Strongly Correlated Electrons · Physics 2019-03-05 Hongkee Yoon , Jae-Hoon Sim , Myung Joon Han

The Fast Multipole Method (FMM) is an efficient numerical algorithm for computation of long-ranged forces in $N$-body problems within gravitational and electrostatic fields. This method utilizes multipole expansions of the Green's function…

Machine Learning · Computer Science 2025-09-26 Emilio McAllister Fognini , Marta M. Betcke , Ben T. Cox

Critical aspects of computational imaging systems, such as experimental design and image priors, can be optimized through deep networks formed by the unrolled iterations of classical model-based reconstructions (termed physics-based…

Computer Vision and Pattern Recognition · Computer Science 2020-03-13 Michael Kellman , Kevin Zhang , Jon Tamir , Emrah Bostan , Michael Lustig , Laura Waller

The many-body Green's function provides access to electronic properties beyond density functional theory level in ab inito calculations. In this manuscript, we propose a deep learning framework for predicting the finite-temperature Green's…

Chemical Physics · Physics 2024-02-20 Xinyang Dong , Emanuel Gull , Lei Wang

We present a worm sampling method for calculating one- and two-particle Green's functions using continuous-time quantum Monte Carlo simulations in the hybridization expansion (CT-HYB). Instead of measuring Green's functions by removing…

Strongly Correlated Electrons · Physics 2015-10-07 Patrik Gunacker , Markus Wallerberger , Emanuel Gull , Andreas Hausoel , Giorgio Sangiovanni , Karsten Held

The integral equation method is widely used in numerical simulations of 2D/3D acoustic and electromagnetic scattering problems, which needs a large number of values of the Green's functions. A significant topic is the scattering problems in…

Numerical Analysis · Mathematics 2018-07-26 Bo Zhang , Ruming Zhang

Artificial Intelligence algorithms have been steadily increasing in popularity and usage. Deep Learning, allows neural networks to be trained using huge datasets and also removes the need for human extracted features, as it automates the…

Neural and Evolutionary Computing · Computer Science 2020-05-11 Vasco Lopes , Paulo Fazendeiro

Recently, deep learning-based denoising approaches have led to dramatic improvements in low sample-count Monte Carlo rendering. These approaches are aimed at path tracing, which is not ideal for simulating challenging light transport…

Graphics · Computer Science 2020-04-28 Shilin Zhu , Zexiang Xu , Henrik Wann Jensen , Hao Su , Ravi Ramamoorthi

We develop techniques for refining representations for fine-grained classification and segmentation tasks in a self-supervised manner. We find that fine-tuning methods based on instance-discriminative contrastive learning are not as…

Computer Vision and Pattern Recognition · Computer Science 2023-09-26 Oindrila Saha , Subhransu Maji

The Green's function plays a crucial role when studying the nature of quantum many-body systems, especially strongly-correlated systems. Although the development of quantum computers in the near future may enable us to compute energy…

Quantum Physics · Physics 2020-08-25 Suguru Endo , Iori Kurata , Yuya O. Nakagawa

We address the problem of analytic continuation of imaginary-frequency Green's functions, which is crucial in many-body physics, using machine learning based on a multi-level residual neural network. We specifically address potential biases…

Strongly Correlated Electrons · Physics 2022-11-24 Rong Zhang , Maximilian E. Merkel , Sophie Beck , Claude Ederer

In this effort we propose a novel approach for reconstructing multivariate functions from training data, by identifying both a suitable network architecture and an initialization using polynomial-based approximations. Training deep neural…

Machine Learning · Computer Science 2019-05-29 Joseph Daws , Clayton G. Webster
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