Related papers: Accelerating GW calculations of point defects with…
Quantum circuit synthesis and compilation are critical components in the quantum computing stack, both for contemporary quantum systems, where efficient use of limited resources is essential, as well as for large-scale fault-tolerant…
This paper introduces a novel approach for cardinality-constrained Poisson regression to address feature selection challenges in high-dimensional count data. We formulate the problem as a mixed-integer conic optimization, enabling the use…
Gravitational waves (GW) emitted by binary systems allow us to perform precision tests of general relativity in the strong field regime. Ringdown signals allow for probing black hole mass and spin with high precision in GW astronomy. With…
Plasma-terminating disruptions in future fusion reactors may result in conversion of the initial current to a relativistic runaway electron beam. Validated predictive tools are required to optimize the scenarios and mitigation actuators to…
The many-body perturbation theory within the $GW$ approximation is a widely used method for describing the electronic band structures in real materials. Its application to large-scale systems is, however, impeded by its high computational…
Graph similarity search is a common and fundamental operation in graph databases. One of the most popular graph similarity measures is the Graph Edit Distance (GED) mainly because of its broad applicability and high interpretability.…
Low-rank matrix estimation is a canonical problem that finds numerous applications in signal processing, machine learning and imaging science. A popular approach in practice is to factorize the matrix into two compact low-rank factors, and…
Graph convolutional networks (GCNs) are popular for building machine-learning application for graph-structured data. This widespread adoption led to the development of specialized GCN hardware accelerators. In this work, we address a key…
A new cumulant-based $GW$ approximation for the retarded one-particle Green's function is proposed, motivated by an exact relation between the improper Dyson self-energy and the cumulant generating function. Qualitative aspects of this…
Multilook coherent imaging is a widely used technique in applications such as digital holography, ultrasound imaging, and synthetic aperture radar. A central challenge in these systems is the presence of multiplicative noise, commonly known…
Estimating cardinality, i.e., the number of distinct elements, of a data stream is a fundamental problem in areas like databases, computer networks, and information retrieval. This study delves into a broader scenario where each element…
Gaussian processes (GPs) are generally regarded as the gold standard surrogate model for emulating computationally expensive computer-based simulators. However, the problem of training GPs as accurately as possible with a minimum number of…
We deal with the efficient parallelization of Bayesian global optimization algorithms, and more specifically of those based on the expected improvement criterion and its variants. A closed form formula relying on multivariate Gaussian…
Polymer electrolytes are promising candidates for the next generation lithium-ion battery technology. Large scale screening of polymer electrolytes is hindered by the significant cost of molecular dynamics (MD) simulation in amorphous…
We calculate single-particle excitation energies for a series of 33 molecules using fully selfconsistent GW, one-shot G$_0$W$_0$, Hartree-Fock (HF), and hybrid density functional theory (DFT). All calculations are performed within the…
Accurate large-scale Kohn-Sham density functional theory (DFT) calculations are essential for modeling complex material systems, including interfaces, defects, nanoclusters, and twisted two-dimensional heterostructures. Achieving chemical…
We present a parameter estimation framework for gravitational wave (GW) signals that brings together several ideas to accelerate the inference process. First, we use the relative binning algorithm to evaluate the signal-to-noise-ratio…
Many computer vision and human-computer interaction applications developed in recent years need evaluating complex and continuous mathematical functions as an essential step toward proper operation. However, rigorous evaluation of this kind…
The self-screening error in the random-phase approximation (RPA) and the $GW$ approximation (GWA) is a well-known issue and has received attention in recent years with several methods for a correction being proposed. We here apply two of…
Strong lensing of gravitational waves (GWs) is attracting growing attention of the community. The event rates of lensed GWs by galaxies were predicted in numerous papers, which used some approximations to evaluate the GW strains detectable…