相关论文: Revisiting Transformation and Directional Technolo…

Approximate functionals used in practical density functional theory (DFT) deviate from the piecewise linear behavior of the exact functional for fractional charges. This deviation causes excess charge delocalization, which leads to…

We present an empirical validation of the directional non-commutative monoidal embedding framework recently introduced in prior work~\cite{Godavarti2025monoidal}. This framework defines learnable compositional embeddings using distinct…

With the increasing demand for multi-carrier communication in high-mobility scenarios, it is urgent to design new multi-carrier communication waveforms that can resist large delay-Doppler spreads. Various multi-carrier waveforms in the…

We present Manifold Diffusion Fields (MDF), an approach that unlocks learning of diffusion models of data in general non-Euclidean geometries. Leveraging insights from spectral geometry analysis, we define an intrinsic coordinate system on…

Density functional theory (DFT) became a universal approach to compute ground-state and excited configurations of many-electron systems held together by an external one-body potential in condensed-matter, atomic, and molecular physics. At…

This paper proposes an efficient parameterization of the Room Transfer Function (RTF). Typically, the RTF rapidly varies with varying source and receiver positions, hence requires an impractical number of point to point measurements to…

A versatile method is described for the practical computation of the discrete Fourier transforms (DFT) of a continuous function $g(t)$ given by its values $g_{j}$ at the points of a uniform grid $F_{N}$ generated by conjugacy classes of…

Starting from Newton's equations of motion, we derive a dynamical density functional theory (DDFT) applicable to atomic liquids. The theory has the feature that it requires as input the Helmholtz free energy functional from equilibrium…

Utilizing spherical harmonic (SH) domain has been established as the default method of obtaining continuity over space in head-related transfer functions (HRTFs). This paper concerns different variants of extending this solution by…

The 3D Discrete Fourier Transform (DFT) is a technique used to solve problems in disparate fields. Nowadays, the commonly adopted implementation of the 3D-DFT is derived from the Fast Fourier Transform (FFT) algorithm. However, evidence…

The versatility of self-attention mechanism earned transformers great success in almost all data modalities, with limitations on the quadratic complexity and difficulty of training. To apply transformers across different data modalities,…

Differential transformation (DT) method has shown to be promising for power system simulation in our recent works. This letter applies the DT method to nonlinear power flow equations and proves that the nonlinear power flow equations are…

In optimal transport, quadratic regularization is a sparse alternative to entropic regularization: the solution measure tends to have small support. Computational experience suggests that the support decreases monotonically to the…

We discuss efficient algorithms for the accurate forward and reverse evaluation of the discrete Fourier-Bessel transform (dFBT) as numerical tools to assist in the 2D polar convolution of two radially symmetric functions, relevant, e.g., to…

We decompose the energy error of any variational DFT calculation into a contribution due to the approximate functional and that due to the approximate density. Typically, the functional error dominates, but in many interesting situations,…

This paper investigates a specific class of nonsmooth nonconvex optimization problems in the face of data uncertainty, namely, robust optimization problems, where the given objective function can be expressed as a difference of two…

The matrix expressions for every parts of a transformer are firstly described. Based on semi-tensor product (STP) of matrices the hypervectors are reconsidered and the linear transformation over hypervectors is constructed by using…

We derive various properties of symmetric product orbifolds of $T\bar{T}$ and $J\bar{T}$ - deformed CFTs from a field-theoretical perspective. First, we generalise the known formula for the torus partition function of a symmetric orbifold…

We introduce the Random Quadratic Form (RQF): a stochastic differential equation which formally corresponds to the gradient flow of a random quadratic functional on a sphere. While the one-point dynamics of the system is a Brownian motion…

We present a real-space formulation and higher-order finite-difference implementation of periodic Orbital-free Density Functional Theory (OF-DFT). Specifically, utilizing a local reformulation of the electrostatic and kernel terms, we…