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Density-corrected density functional theory (DC-DFT) is enjoying substantial success in improving semilocal DFT calculations in a wide variety of chemical problems. This paper provides the formal theoretical framework and assumptions for…

Chemical Physics · Physics 2019-08-19 Stefan Vuckovic , Suhwan Song , John Kozlowski , Eunji Sim , Kieron Burke

The combination of Finite Element Method (FEM) simulation and experimental photo-elasticity provides both qualitative and quantitative information about the stress field in a polymer composite and particularly along the fibre-matrix…

Materials Science · Physics 2007-05-23 H. Matthias Deuschle , Falk K. Wittel , Henry Gerhard , Gerhard Busse , Bernd-H. Kroeplin

The problem of packing a system of particles as densely as possible is foundational in the field of discrete geometry and is a powerful model in the material and biological sciences. As packing problems retreat from the reach of solution by…

Metric Geometry · Mathematics 2012-12-18 Yoav Kallus , Veit Elser , Simon Gravel

Field-theoretical method is efficient in predicting the assembling structures of polymeric systems. However, for the polymer/nanoparticle mixture, the continuous density description is not suitable to capture the realistic assembly of…

Soft Condensed Matter · Physics 2017-05-17 Hui-shu Li , Bo-kai Zhang , Jian Li , Wen-de Tian , Kang Chen

Learning the embedding space, where semantically similar objects are located close together and dissimilar objects far apart, is a cornerstone of many computer vision applications. Existing approaches usually learn a single metric in the…

Computer Vision and Pattern Recognition · Computer Science 2019-06-17 Artsiom Sanakoyeu , Vadim Tschernezki , Uta Büchler , Björn Ommer

Edge computing has emerged as an alternative to reduce transmission and processing delay and preserve privacy of the video streams. However, the ever-increasing complexity of Deep Neural Networks (DNNs) used in video-based applications…

Computer Vision and Pattern Recognition · Computer Science 2024-10-16 Bryan Bo Cao , Abhinav Sharma , Manavjeet Singh , Anshul Gandhi , Samir Das , Shubham Jain

The present contribution does not aim at replacing the huge and often excellent literature on DFT for atomic nuclei, but tries to provide an updated introduction to this topic. The goal would be, ideally, to help a fresh M.Sc. or Ph.D.…

Nuclear Theory · Physics 2019-08-09 G. Colò

This proposes a novel ensemble deep learning-based model to accurately classify, detect and localize different defect categories for aggressive pitches and thin resists (High NA applications).In particular, we train RetinaNet models using…

Image and Video Processing · Electrical Eng. & Systems 2022-06-29 Bappaditya Deya , Dipam Goswamif , Sandip Haldera , Kasem Khalilb , Philippe Leraya , Magdy A. Bayoumi

One-to-one set matching is a key design for DETR to establish its end-to-end capability, so that object detection does not require a hand-crafted NMS (non-maximum suppression) to remove duplicate detections. This end-to-end signature is…

Computer Vision and Pattern Recognition · Computer Science 2023-05-17 Ding Jia , Yuhui Yuan , Haodi He , Xiaopei Wu , Haojun Yu , Weihong Lin , Lei Sun , Chao Zhang , Han Hu

The Matrix Element Method (MEM) is a powerful method to extract information from measured events at collider experiments. Compared to multivariate techniques built on large sets of experimental data, the MEM does not rely on an…

High Energy Physics - Experiment · Physics 2021-04-07 Florian Bury , Christophe Delaere

Medical image segmentation has achieved remarkable advancements using deep neural networks (DNNs). However, DNNs often need big amounts of data and annotations for training, both of which can be difficult and costly to obtain. In this work,…

Computer Vision and Pattern Recognition · Computer Science 2021-10-19 Hengji Cui , Dong Wei , Kai Ma , Shi Gu , Yefeng Zheng

We study both static and transport properties of model quantum dots, employing density functional theory as well as (numerically) exact methods. For the lattice model under consideration the accuracy of the local-density approximation…

Mesoscale and Nanoscale Physics · Physics 2011-04-11 S. Schenk , P. Schwab , M. Dzierzawa , U. Eckern

Since the first investigation of the Hubbard model in the limit of infinite dimensions by Metzner and Vollhardt, dynamical mean-field theory (DMFT) has become a very powerful tool for the investigation of lattice models of correlated…

Strongly Correlated Electrons · Physics 2007-05-23 Ralf Bulla

Symmetries are known to dictate important physical properties and can be used as a design principle in particular in wave physics, including wave structures and the resulting propagation dynamics. Local symmetries, in the sense of a…

Quantum Physics · Physics 2023-03-27 P. Schmelcher

We present detailed benchmark ground-state calculations of the one- and two-dimensional Hubbard model utilizing the cluster extensions of the rotationally invariant slave-boson (RISB) mean-field theory and the density matrix embedding…

Strongly Correlated Electrons · Physics 2019-03-27 Tsung-Han Lee , Thomas Ayral , Yong-Xin Yao , Nicola Lanata , Gabriel Kotliar

Manifold learning (ML) aims to seek low-dimensional embedding from high-dimensional data. The problem is challenging on real-world datasets, especially with under-sampling data, and we find that previous methods perform poorly in this case.…

Machine Learning · Computer Science 2022-07-27 Zelin Zang , Siyuan Li , Di Wu , Ge Wang , Lei Shang , Baigui Sun , Hao Li , Stan Z. Li

We have obtained all the density matrix elements on six lattice sites for the spin-1/2 Heisenberg chain via the algebraic method based on the quantum Knizhnik-Zamolodchikov equations. Several interesting correlation functions, such as…

High Energy Physics - Theory · Physics 2011-02-16 Jun Sato , Masahiro Shiroishi , Minoru Takahashi

We review the variational principle in the density matrix renormalization group (DMRG) method, which maximizes an approximate partition function within a restricted degrees of freedom; at zero temperature, DMRG mini- mizes the ground state…

Statistical Mechanics · Physics 2009-10-28 T. Nishino , K. Okunishi

Distance metric learning (DML) approaches learn a transformation to a representation space where distance is in correspondence with a predefined notion of similarity. While such models offer a number of compelling benefits, it has been…

Machine Learning · Statistics 2016-03-03 Oren Rippel , Manohar Paluri , Piotr Dollar , Lubomir Bourdev

In a recent paper we presented a linear scaling Kohn-Sham density functional theory (DFT) code based on Daubechies wavelets, where a minimal set of localized support functions is optimized in situ and therefore adapted to the chemical…

Materials Science · Physics 2015-10-08 Laura E. Ratcliff , Luigi Genovese , Stephan Mohr , Thierry Deutsch