相关论文: Physically interpretable approximations of many-bo…

Nowadays, tens of satellites carry hyperspectral spectrometers. Such instruments allow decomposing the light that exits the atmosphere from its top into hundreds to thousands of contiguous spectral channels. By analysis of the light…

In this work we explore the performance of approximations to electron correlation in reduced density-matrix functional theory (RDMFT) and of approximations to the observables calculated within this theory. Our analysis focuses on the…

Spectral functions are important quantities that contain a wealth of information about the quasiparticles of a system, and that can also be measured experimentally. For systems with electron-phonon coupling, good approximations for the…

Function fitting/approximation plays a fundamental role in computer graphics and other engineering applications. While recent advances have explored neural networks to address this task, these methods often rely on architectures with many…

Density functional theory (DFT) offers a desirable balance between quantitative accuracy and computational efficiency in practical many-electron calculations. Its central component, the exchange-correlation energy functional, has been…

The basic problem of shape complementarity analysis appears fundamental to applications as diverse as mechanical design, assembly automation, robot motion planning, micro- and nano-fabrication, protein-ligand binding, and rational drug…

Adapting vision transformer foundation models through parameter-efficient fine-tuning (PEFT) methods has become increasingly popular. These methods optimize a limited subset of parameters, enabling efficient adaptation without the need to…

Rational function approximations find applications in many areas including macro-modeling of high-frequency circuits, model order reduction for controller design, interpolation and extrapolation of system responses, surrogate models for…

With the scale of vision Transformer-based models continuing to grow, finetuning these large-scale pretrained models for new tasks has become increasingly parameter-intensive. Visual prompt tuning is introduced as a parameter-efficient…

Foundation models pretrained on large-scale natural images are widely adapted to various cross-domain low-resource downstream tasks, benefiting from generalizable and transferable patterns captured by their representations. However, these…

The analysis of astronomical interferometric data is often performed on the images obtained after deconvolution of the interferometer's point spread function (PSF). This strategy can be understood (especially for cases of sparse arrays) as…

Koopmans spectral functionals are a powerful extension of Kohn-Sham density-functional theory (DFT) that enable the prediction of spectral properties with state-of-the-art accuracy. The success of these functionals relies on capturing the…

We compare theoretical, experimental, and computational approaches to random rough surfaces. The aim is to produce rough surfaces with desirable correlations and to analyze the correlation functions extracted from the surface profiles.…

Representational similarity metrics typically force all units to be matched, making them susceptible to noise and outliers common in neural representations. We extend the soft-matching distance to a partial optimal transport setting that…

We combine the recently developed many-body Green's function theory for electrons and nuclei with the exact factorization of the wave function. The existing Born-Oppenheimer Green's functions are shown to be special cases of our exact…

New energy-density functionals (EDFs) inspired by effective-field theories (EFTs) have been recently proposed. The present work focuses on three of such functionals which were developed to produce satisfactory equations of state for nuclear…

In this paper we describe the FIT\textit{spec} code, a data mining tool for the automatic fitting of synthetic stellar spectra. The program uses a database of 27\,000 {\sc cmfgen} models of stellar atmospheres arranged in a six-dimensional…

Simulations of finite temperature quantum systems provide imaginary frequency Green's functions that correspond one-to-one to experimentally measurable real-frequency spectral functions. However, due to the bad conditioning of the…

We present a new, highly efficient yet accurate approximation for the Green's functions of dressed particles, using the Holstein polaron as an example. Instead of summing a subclass of diagrams (e.g. the non-crossed ones, in the…

We present an efficient implementation of the parquet formalism which respects the asymptotic structure of the vertex functions at both single- and two-particle levels in momentum- and frequency-space. We identify the two-particle reducible…