相关论文: Fixed function and its application to Medical Scie…

Effective descent morphisms, originally defined in Grothendieck descent theory, form a class of special morphisms within a category. Essentially, an effective descent morphism enables bundles over its codomain to be fully described as…

The knowledge of effective masses is a key ingredient to analyze numerous properties of semiconductors, like carrier mobilities, (magneto-)transport properties, or band extrema characteristics yielding carrier densities and density of…

Reduced density-matrix functional theory (RDMFT) provides a variational route to electronic correlations beyond conventional density-functional approximations, but explicit evaluations of density-matrix functionals still scale exponentially…

We develop new approximation algorithms and data structures for representing and computing with multivariate functions using the functional tensor-train (FT), a continuous extension of the tensor-train (TT) decomposition. The FT represents…

There are several extensions of the classical Banach Fixed Point Theorem in technical literature. A branch of generalizations replaces usual contractivity by weaker but still effective assumptions. Our note follows this stream, presenting…

This paper proposes a unique optimization approach for estimating the minimax rational approximation and its application for evaluating matrix functions. Our method enables the extension to generalized rational approximations and has the…

Functional data, representing curves or trajectories, are ubiquitous in fields like biomedicine and motion analysis. A fundamental challenge is phase variability -- temporal misalignments that obscure underlying patterns and degrade model…

Classical density functional theory (cDFT) provides a systematic approach to predict the structure and thermodynamic properties of chemical systems through the single-molecule density profiles. Whereas the statistical-mechanical framework…

Taylor's theorem (and its variants) is widely used in several areas of mathematical analysis, including numerical analysis, functional analysis, and partial differential equations. This article explains how Taylor's theorem in its most…

The very good performance of modern density functional theory for molecular geometries and harmonic vibrational frequencies has been well established. We investigate the performance of density functional theory (DFT) for quartic force…

Random matrices now play a role in many parts of computational mathematics. To advance these applications, it is desirable to have tools that are flexible, easy to use, and powerful. Over the last 25 years, researchers have developed a…

Purpose: Various dose calculation algorithms are available for radiation therapy for cancer patients. However, these algorithms are faced with the tradeoff between efficiency and accuracy. The fast algorithms are generally less accurate,…

Deep Matrix Factorization (DMF) is an emerging approach to the problem of matrix completion. Recent works have established that gradient descent applied to a DMF model induces an implicit regularization on the rank of the recovered matrix.…

Energy evaluation using fast Fourier transforms enables sampling billions of putative complex structures and hence revolutionized rigid protein-protein docking. However, in current methods efficient acceleration is achieved only in either…

Wavefunction correction scheme, which was developed as a variance reduction tool for the pure and fixed-node diffusion Monte Carlo (DMC) computations by Anderson and Freihaut, is applied to the DMC computations of fermions without using the…

Classical Density Functional Theory (DFT) is a statistical-mechanical framework to analyze fluids, which accounts for nanoscale fluid inhomogeneities and non-local intermolecular interactions. DFT can be applied to a wide range of…

Recent advancements in deep learning have significantly revolutionized the field of clinical diagnosis and treatment, offering novel approaches to improve diagnostic precision and treatment efficacy across diverse clinical domains, thus…

We introduce the notion of a random relaxed asymptotic contraction in the setting of random normed modules. The contraction condition employs two quasi-metrics that are built directly from the random operator: a lower quasi-metric which…

We analyze the dynamics of evolutionary games in which fitness is defined as an affine function of the expected payoff and a constant contribution. The resulting inhomogeneous replicator equation has an homogeneous equivalent with modified…

Nuclear density functional theory (DFT) is the only microscopic, global approach to the structure of atomic nuclei. It is used in numerous applications, from determining the limits of stability to gaining a deep understanding of the…