Related papers: Density Matrix Embedding from Broken Symmetry Latt…
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…
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…
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…
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…
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…
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…
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.…
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…
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…
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…
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,…
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…
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…
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…
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…
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.…
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…
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…
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…
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…