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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…

化学物理 · 物理学 2024-02-20 Xinyang Dong , Emanuel Gull , Lei Wang

Neural operators are a popular technique in scientific machine learning to learn a mathematical model of the behavior of unknown physical systems from data. Neural operators are especially useful to learn solution operators associated with…

数值分析 · 数学 2022-08-05 Nicolas Boullé , Seick Kim , Tianyi Shi , Alex Townsend

Neural networks (NNs) have been widely used to solve partial differential equations (PDEs) in the applications of physics, biology, and engineering. One effective approach for solving PDEs with a fixed differential operator is learning…

数值分析 · 数学 2025-11-21 Wenrui Hao , Rui Peng Li , Yuanzhe Xi , Tianshi Xu , Yahong Yang

We present an approach to identify concise equations from data using a shallow neural network approach. In contrast to ordinary black-box regression, this approach allows understanding functional relations and generalizing them from…

机器学习 · 计算机科学 2018-06-20 Subham S. Sahoo , Christoph H. Lampert , Georg Martius

Learning the Green's function using deep learning models enables to solve different classes of partial differential equations. A practical limitation of using deep learning for the Green's function is the repeated computationally expensive…

机器学习 · 计算机科学 2023-08-02 Kishan Wimalawarne , Taiji Suzuki , Sophie Langer

Reconstructing spectral functions from Euclidean Green's functions is an important inverse problem in physics. The prior knowledge for specific physical systems routinely offers essential regularization schemes for solving the ill-posed…

计算物理 · 物理学 2021-12-14 Lingxiao Wang , Shuzhe Shi , Kai Zhou

We seek to improve the data efficiency of neural networks and present novel implementations of parameterized piece-wise polynomial activation functions. The parameters are the y-coordinates of n+1 Chebyshev nodes per hidden unit and…

机器学习 · 计算机科学 2019-06-25 Yuchen Li , Frank Rudzicz , Jekaterina Novikova

The method is proposed for the study of many-point boundary value problems for systems of nonlinear ODE, by reducing them to special equivalent integral equations, and allows us [in contrast with the known method [1]] to consider boundary…

经典分析与常微分方程 · 数学 2012-05-11 Yu. A. Konyaev

We propose a highly efficient numerical method to describe inhomogeneous superconductivity by using the kernel polynomial method in order to calculate the Green's functions of a superconductor. Broken translational invariance of any type…

超导电性 · 物理学 2010-10-13 L. Covaci , F. M. Peeters , M. Berciu

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…

材料科学 · 物理学 2007-05-23 R. Takayama , T. Hoshi , T. Sogabe , S. -L. Zhang , T. Fujiwara

In classical machine learning, regression is treated as a black box process of identifying a suitable function from a hypothesis set without attempting to gain insight into the mechanism connecting inputs and outputs. In the natural…

机器学习 · 计算机科学 2016-10-11 Georg Martius , Christoph H. Lampert

Causal learning from data has received much attention recently. Bayesian networks can be used to capture causal relationships. There, one recovers a weighted directed acyclic graph in which random variables are represented by vertices, and…

机器学习 · 计算机科学 2026-01-06 Pavel Rytir , Ales Wodecki , Georgios Korpas , Jakub Marecek

The Green's function method has applications in several fields in Physics, from classical differential equations to quantum many-body problems. In the quantum context, Green's functions are correlation functions, from which it is possible…

介观与纳米尺度物理 · 物理学 2016-10-14 Mariana M. Odashima , Beatriz G. Prado , E. Vernek

In this paper, we propose symbolic decision trees as surrogate models for approximating model predictive control laws. The proposed approach learns simultaneously the partition of the input domain (splitting logic) as well as local…

系统与控制 · 电气工程与系统科学 2025-10-14 Ilias Mitrai

Integral equation methods provide an effective framework for solving partial differential equations, but their applicability typically relies on the availability of explicit free-space Green's functions. For coupled systems arising in…

偏微分方程分析 · 数学 2026-04-14 Fredrik Fryklund

I review the application of self-consistent Green's functions methods to study the properties of infinite nuclear systems. Improvements over the last decade, including the consistent treatment of three-nucleon forces and the development of…

核理论 · 物理学 2020-06-19 A. Rios

The popular, stable, robust and computationally inexpensive cubic spline interpolation algorithm is adopted and used for finite temperature Green's function calculations of realistic systems. We demonstrate that with appropriate…

化学物理 · 物理学 2016-11-15 Alexei A. Kananenka , Alicia Rae Welden , Tran Nguyen Lan , Emanuel Gull , Dominika Zgid

A complete understanding of physical systems requires models that are accurate and obeys natural conservation laws. Recent trends in representation learning involve learning Lagrangian from data rather than the direct discovery of governing…

机器学习 · 统计学 2023-02-10 Tapas Tripura , Souvik Chakraborty

We develop a new algebraic setting for treating piecewise functions and distributions together with suitable differential and Rota-Baxter structures. Our treatment aims to provide the algebraic underpinning for symbolic computation systems…

环与代数 · 数学 2023-08-11 Markus Rosenkranz , Nitin Serwa

The Matsubara Green's function formalism stands as a powerful technique for computing the thermodynamic characteristics of interacting quantum many-particle systems at finite temperatures. In this manuscript, our focus centers on…

强关联电子 · 物理学 2024-09-24 Dominik Kiese , Anxiang Ge , Nepomuk Ritz , Jan von Delft , Nils Wentzell