Related papers: Comparison of regularized SCAN functional with SCA…
We derive and motivate a Laplacian-level, orbital-free meta-generalized-gradient approximation (LL-MGGA) for the exchange-correlation energy, targeting accurate ground-state properties of $sp$ and $sd$ metallic condensed matter, in which…
Density functional theory (DFT) is a widespread and effective tool in electronic structure calculations for ground-state electron systems. Its success has prompted exploration into the use of DFT for non-collective excited states. The delta…
In this paper, we propose a novel kernel stochastic gradient descent (SGD) algorithm for large-scale supervised learning with general losses. Compared to traditional kernel SGD, our algorithm improves efficiency and scalability through an…
In the new perspective of spatial quantization, this article systematically studies the advantages of reconfigurable reflectarray (RRA) designed with closely spaced elements in terms of sidelobe level (SLL), scanning accuracy and scan loss,…
It has been recently shown, that some Skyrme functionals can lead to non-converging results in the calculation of some properties of atomic nuclei. A previous study has pointed out a possible link between these convergence problems and the…
By self-consistent renormalization (SCR) it is meant that all formal relations between UV-divergent Feynman amplitudes are automatically retained as well as between their regular values obtained in the framework of the SCR. The SCR is…
The family of Green's function methods based on the $GW$ approximation has gained popularity in the electronic structure theory thanks to its accuracy in weakly correlated systems combined with its cost-effectiveness. Despite this,…
A recent modification of the Perdew-Zunger self-interaction-correction (SIC) to the density-functional formalism (Pederson, Ruzsinszky, Perdew) has provided a framework for explicitly restoring unitary invariance to the expression for the…
Objective: Non-rigid image registration with high accuracy and efficiency is still a challenging task for medical image analysis. In this work, we present the spatially region-weighted correlation ratio (SRWCR) as a novel similarity measure…
Density functional calculations of Rydberg excited states up to high energy are carried out for several molecules using an approach where the orbitals are variationally optimized by converging on saddle points on the electronic energy…
Compressive sensing (CS) is well-known for its unique functionalities of sensing, compressing, and security (i.e. CS measurements are equally important). However, there is a tradeoff. Improving sensing and compressing efficiency with prior…
Remote sensing images (RSIs) in real scenes may be disturbed by multiple factors such as optical blur, undersampling, and additional noise, resulting in complex and diverse degradation models. At present, the mainstream SR algorithms only…
In density functional theory, the SCAN (Strongly Constrained and Appropriately Normed) and r2SCAN functionals significantly improve over generalized gradient approximation functionals such as PBE (Perdew-Burke-Ernzerhof) in predicting…
We consider the problem of optimization of deep learning models with smooth activation functions. While there exist influential results on the problem from the ``near initialization'' perspective, we shed considerable new light on the…
Recent image degradation estimation methods have enabled single-image super-resolution (SR) approaches to better upsample real-world images. Among these methods, explicit kernel estimation approaches have demonstrated unprecedented…
Sharpness-aware minimization (SAM) has emerged as a highly effective technique to improve model generalization, but its underlying principles are not fully understood. We investigate m-sharpness, where SAM performance improves monotonically…
Magnetic resonance (MR) images exhibit various contrasts and appearances based on factors such as different acquisition protocols, views, manufacturers, scanning parameters, etc. This generally accessible appearance-related side information…
The stability of the nonmodulated martensitic phase, the austenitic Fermi surface and the phonon dispersion relations for ferromagnetic Ni$_2$MnGa are studied using density functional theory. Exchange-correlation effects are considered with…
The spherical Radon transform (SRT) is an integral transform that maps a function to its integrals over concentric spherical shells centered at specified sensor locations. It has several imaging applications, including synthetic aperture…
Recent studies suggest that artificial neural networks (ANNs) that match the spectral properties of the mammalian visual cortex -- namely, the $\sim 1/n$ eigenspectrum of the covariance matrix of neural activities -- achieve higher object…