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The equivalence in one-electron quantum bath between the practical implementation of density matrix embedding theory (DMET) and the more recent Householder-transformed density matrix functional embedding theory has been shown previously in…

Chemical Physics · Physics 2023-07-24 Sajanthan Sekaran , Oussama Bindech , Emmanuel Fromager

We give an elementary introduction to a recent diagrammatic extension of dynamical mean field theory (DMFT) coined dynamical vertex approximation (D$\Gamma$A). This approach contains the important local correlations of DMFT, giving, among…

Strongly Correlated Electrons · Physics 2009-03-18 K. Held , A. A. Katanin , A. Toschi

Density matrix embedding theory (DMET) formally requires the matching of density matrix blocks obtained from high-level and low-level theories, but this is sometimes not achievable in practical calculations. In such a case, the global band…

Computational Physics · Physics 2022-01-14 Fabian M. Faulstich , Raehyun Kim , Zhi-Hao Cui , Zaiwen Wen , Garnet Kin-Lic Chan , Lin Lin

Density functional theory (DFT) is an indispensable ab initio method in both quantum chemistry and condensed matter physics. Based on recent advancements in reduced density matrix functional theory (RDMFT), a variant of DFT that is believed…

Quantum Physics · Physics 2026-04-02 Chih-Chun Wang

$G/G$ topological field theories based on $G_k$ WZW models are constructed and studied. These coset models are formulated as Complex BRST cohomology in $G^c_k$, the complexified level $k$ current algebra. The finite physical spectrum…

High Energy Physics - Theory · Physics 2009-10-22 Mordechai Spiegelglas , Shimon Yankielowicz

Current Graph Neural Networks (GNN) architectures generally rely on two important components: node features embedding through message passing, and aggregation with a specialized form of pooling. The structural (or topological) information…

Machine Learning · Computer Science 2022-06-01 Cédric Vincent-Cuaz , Rémi Flamary , Marco Corneli , Titouan Vayer , Nicolas Courty

We develop a framework for generalized variational inference in infinite-dimensional function spaces and use it to construct a method termed Gaussian Wasserstein inference (GWI). GWI leverages the Wasserstein distance between Gaussian…

Machine Learning · Statistics 2022-10-18 Veit D. Wild , Robert Hu , Dino Sejdinovic

We introduce real-time density matrix embedding theory (DMET), a dynamical quantum embedding theory for computing non-equilibrium electron dynamics in strongly correlated systems. As in the previously developed static DMET, real-time DMET…

Chemical Physics · Physics 2017-11-03 Joshua S. Kretchmer , Garnet Kin-Lic Chan

We extend the mimetic cosmology to models containing gauge invariant $p$-forms. The $0$-form case reproduces the well-known results of the mimetic dark matter, the $1$-form corresponds to the gauge field mimetic model while the $2$-form…

High Energy Physics - Theory · Physics 2018-09-06 Mohammad Ali Gorji , Shinji Mukohyama , Hassan Firouzjahi , Seyed Ali Hosseini Mansoori

We propose a new method of solving a class of mean-field (MF) models, which is based on the Maximum Entropy (MaxEnt) principle with additional constraints included. Next, we show equivalence of our method when applied to the Gutzwiller…

Strongly Correlated Electrons · Physics 2011-05-19 Jakub Jȩdrak , Jan Kaczmarczyk , Jozef Spałek

Deep learning is a hierarchical inference method formed by subsequent multiple layers of learning able to more efficiently describe complex relationships. In this work, Deep Gaussian Mixture Models are introduced and discussed. A Deep…

Machine Learning · Statistics 2017-11-21 Cinzia Viroli , Geoffrey J. McLachlan

Graph Transformers (GTs) have shown strong empirical performance, yet current architectures vary widely in their use of attention mechanisms, positional embeddings (PEs), and expressivity. Existing expressivity results are often tied to…

Machine Learning · Computer Science 2025-11-12 Timo Stoll , Luis Müller , Christopher Morris

The learning of Gaussian Mixture Models (also referred to simply as GMMs) plays an important role in machine learning. Known for their expressiveness and interpretability, Gaussian mixture models have a wide range of applications, from…

Machine Learning · Computer Science 2023-07-14 Ruichong Zhang

Gaussian process (GP) emulators have become essential tools for approximating complex simulators, significantly reducing computational demands in optimization, sensitivity analysis, and model calibration. While traditional GP emulators…

Computation · Statistics 2026-03-26 Deyu Ming , Daniel Williamson

One proposal for deriving effective cosmological models from theories of quantum gravity is to view the former as a mean-field (hydrodynamic) description of the latter, which describes a universe formed by a 'condensate' of quanta of…

General Relativity and Quantum Cosmology · Physics 2015-08-12 Steffen Gielen

Quantum entanglement entropy has a geometric character. This is illustrated by the interpretation of Rindler space or black hole entropy as entanglement entropy. In general, one can define a "geometric entropy", associated with an event…

Quantum Physics · Physics 2007-05-23 Jose Gaite

A principled framework to generalize variational perturbation approximations (VPA's) formulated within the ambit of the nonadditive statistics of Tsallis statistics, is introduced. This is accomplished by operating on the terms constituting…

Statistical Mechanics · Physics 2015-05-14 R. C. Venkatesan , A. Plastino

The Gromov-Wasserstein (GW) distance is frequently used in machine learning to compare distributions across distinct metric spaces. Despite its utility, it remains computationally intensive, especially for large-scale problems. Recently, a…

Machine Learning · Statistics 2024-10-01 Antoine Salmona , Julie Delon , Agnès Desolneux

In a previous paper, we introduced a framework for carrying out petrophysically and geologically guided geophysical inversions. In that framework, petrophysical and geological information is modelled with a Gaussian Mixture Model (GMM). In…

Geophysics · Physics 2022-03-29 Thibaut Astic , Lindsey J. Heagy , Douglas W. Oldenburg

We review recent developments in electronic structure calculations that go beyond state-of-the-art methods such as density functional theory (DFT) and dynamical mean field theory (DMFT). Specifically, we discuss the following methods: GW as…

Strongly Correlated Electrons · Physics 2017-07-27 J. M. Tomczak , P. Liu , A. Toschi , G. Kresse , K. Held
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