Related papers: High-performance linear-scaling electronic structu…
Because of the vast volume of data being produced by today's scientific simulations, lossy compression allowing user-controlled information loss can significantly reduce the data size and the I/O burden. However, for large-scale cosmology…
This work explores the ability of classical electronic structure methods to efficiently represent (compress) the information content of full configuration interaction (FCI) wave functions. We introduce a benchmark set of four hydrogen model…
We present a new approach to compute low lying eigenvalues and corresponding eigenvectors for strongly correlated many-body systems. The method was inspired by the so-called Automated Multilevel Sub-structuring Method (AMLS). Originally, it…
Existing RGB-T salient object detection methods predominantly rely on manually aligned and annotated datasets, struggling to handle real-world scenarios with raw, unaligned RGB-T image pairs. In practical applications, due to significant…
In this work, we employ the Constraint Energy Minimizing Generalized Multiscale Finite Element Method (CEM-GMsFEM) to solve the problem of linear heterogeneous poroelasticity with coefficients of high contrast. The proposed method makes use…
We describe a scheme for efficient large-scale electronic-structure calculations based on the combination of the pole expansion and selected inversion (PEXSI) technique with the SIESTA method, which uses numerical atomic orbitals within the…
We extend density matrix embedding theory to periodic systems, resulting in an electronic band structure method for solid-state materials. The electron correlation can be captured by means of a local impurity model using various choices of…
We perform a simulation-based forecasting analysis to compare the cosmological constraining power of higher-order summary statistics of the large-scale structure, the Minkowski Functionals (MFs) and a class weighted morphological measure…
A Krylov subspace recycling method for the efficient evaluation of a sequence of matrix functions acting on a set of vectors is developed. The method improves over the recycling methods presented in [Burke et al., arXiv:2209.14163, 2022] in…
Performance evaluations on the deterministic algorithms for 6-D problems are rarely found in literatures except some recent advances in the Vlasov and Boltzmann community [Dimarco et al. (2018), Kormann et al. (2019)], due to the extremely…
Most existing results in the analysis of quantum reservoir computing (QRC) systems with classical inputs have been obtained using the density matrix formalism. This paper shows that alternative representations can provide better insights…
We discuss our new implementation of the Real-space Electronic Structure method for studying the atomic and electronic structure of infinite periodic as well as finite systems, based on density functional theory. This improved version which…
Accurate 3D reconstruction of colored objects with structured light (SL) is hindered by lateral chromatic aberration (LCA) in optical components and uneven noise characteristics across RGB channels. This paper introduces lateral chromatic…
The multigroup neutron transport equations have been widely used to study the motion of neutrons and their interactions with the background materials. Numerical simulation of the multigroup neutron transport equations is computationally…
Sketch-and-solve (SAS) is a very successful method to efficiently estimate the solution of heavily overdetermined large linear least squares problems. It uses random sketching to reduce the size of the problem, hence reducing the…
Quantum chemistry has been viewed as one of the potential early applications of quantum computing. Two techniques have been proposed for electronic structure calculations: (i) the variational quantum eigensolver and (ii) the…
Compressed Sensing (CS) is suitable for remote acquisition of hyperspectral images for earth observation, since it could exploit the strong spatial and spectral correlations, llowing to simplify the architecture of the onboard sensors.…
This work reveals an experimental microscopy acquisition scheme successfully combining Compressed Sensing (CS) and digital holography in off-axis and frequency-shifting conditions. CS is a recent data acquisition theory involving signal…
Based on recently introduced efficient quantum state tomography schemes, we propose a scalable method for the tomography of unitary processes and the reconstruction of one-dimensional local Hamiltonians. As opposed to the exponential…
An image super-resolution method from multiple observation of low-resolution images is proposed. The method is based on sub-pixel accuracy block matching for estimating relative displacements of observed images, and sparse signal…