相关论文: Adaptively compressed exchange in LAPW
The exact-exchange (EXX) potential, which is obtained by solving the optimized-effective potential (OEP) equation, is compared to various approximate semilocal exchange potentials for a set of selected solids (C, Si, BN, MgO, Cu$_{2}$O, and…
We investigate the exchange effect between the final atom's bound electrons and those emitted in the allowed $\beta$-decay of the initial nucleus. The electron wave functions are obtained with the Dirac-Hartree-Fock-Slater self-consistent…
Communication remains a central bottleneck in large-scale distributed machine learning, and gradient sparsification has emerged as a promising strategy to alleviate this challenge. However, existing gradient compressors face notable…
The optimized-effective-potential (OEP) method is a special technique to construct local Kohn-Sham potentials from general orbital-dependent energy functionals. In a recent publication [M. Betzinger, C. Friedrich, S. Bl\"ugel, A. G\"orling,…
In this paper, reduced-order models (ROMs) are constructed for the Ablowitz-Ladik equation (ALE), an integrable semi-discretization of the nonlinear Schr\"odinger equation (NLSE) with and without damping. Both ALEs are non-canonical…
We present a general-purpose parameterization of the atomic cluster expansion (ACE) for magnesium. The ACE shows outstanding transferability over a broad range of atomic environments and captures physical properties of bulk as well as…
Federated Learning (FL) solves many of this decade's concerns regarding data privacy and computation challenges. FL ensures no data leaves its source as the model is trained at where the data resides. However, FL comes with its own set of…
Finite element exterior calculus (FEEC) has been developed as a systematical framework for constructing and analyzing stable and accurate numerical method for partial differential equations by employing differential complexes. This paper is…
The structural properties of liquid GeSe$_2$ are studied by using first-principles molecular dynamics in conjuncton with the Becke, Lee, Yang and Parr (BLYP) generalized gradient approximation for the exchange and correlation energy. The…
Modern scientific simulations generate massive volumes of data, creating significant challenges for I/O and storage systems. Error-bounded lossy compression (EBLC) offers a solution by reducing data set sizes while preserving data quality…
The isostructural {\alpha}-{\gamma} phase transition in cerium is analyzed using density-functional theory with different exchange-correlation functionals, in particular the PBE0 hybrid functional and the exact- exchange plus correlation in…
Complete one-loop electroweak radiative corrections to the cross section of the process $e^+e^- \to \mu^-\mu^+ (\tau^-\tau^+)$ are evaluated with the help of the \SANC system. Higher-order contributions of the initial state radiation are…
In this paper, we propose a novel method, aggregation cross-entropy (ACE), for sequence recognition from a brand new perspective. The ACE loss function exhibits competitive performance to CTC and the attention mechanism, with much quicker…
This note presents a combination of published and preliminary electroweak results from the four LEP collaborations ALEPH, DELPHI, L3 and OPAL based on electron-positron collision data taken at centre-of-mass energies above the Z-pole, $130…
We propose a generalized gradient approximation (GGA) for the angle- and system-averaged exchange-correlation hole of a many-electron system. This hole, which satisfies known exact constraints, recovers the PBEsol (Perdew-Burke-Ernzerhof…
We present SPARC-atomSFE, a spectral finite-element package for accurate and efficient atomic structure calculations within the framework of Kohn-Sham density functional theory. The package supports both all-electron and norm conserving…
The electroweak phase transition is investigated by means of the perturbatively calculated high temperature effective potential. An analytic result to order $g^4,\lambda^2$ is presented for the Abelian Higgs model, the SU(2)-Higgs model and…
This note presents a combination of published and preliminary electroweak results from the four LEP collaborations ALEPH, DELPHI, L3 and OPAL based on electron-positron collision data taken at centre-of-mass energies above the Z-pole, $130…
We study the price dynamics of cryptocurrencies using adaptive complementary ensemble empirical mode decomposition (ACE-EMD) and Hilbert spectral analysis. This is a multiscale noise-assisted approach that decomposes any time series into a…
Teleoperation systems are essential for efficiently collecting diverse and high-quality robot demonstration data, especially for complex, contact-rich tasks. However, current teleoperation platforms typically lack integrated force feedback,…