Related papers: A sparse approximation of the Lieb functional with…
Physically valid and numerically efficient approximations for the exchange and correlation energy are critical for reduced density-matrix functional theory to become a widely used method in electronic structure calculations. Here we examine…
This paper investigates a category of constrained fractional optimization problems that emerge in various practical applications. The objective function for this category is characterized by the ratio of a numerator and denominator, both…
This paper proposes a tractable family of remainder-form mixed-monotone decomposition functions that are useful for over-approximating the image set of nonlinear mappings in reachability and estimation problems. Our approach applies to a…
Optimal Transport is a useful metric to compare probability distributions and to compute a pairing given a ground cost. Its entropic regularization variant (eOT) is crucial to have fast algorithms and reflect fuzzy/noisy matchings. This…
We propose a practical approximation to the exchange-correlation functional of (time-dependent) density functional theory for many-electron systems coupled to photons. The (time non-local) optimized effective potential (OEP) equation for…
The optimal transport problem with quadratic regularization is useful when sparse couplings are desired. The density of the optimal coupling is described by two functions called potentials; equivalently, potentials can be defined as a…
Given a wave-function minimizing the Levy-Lieb functional, the intent of this short note is to give an estimate of the probability of the particles being in positions $(x_1, \ldots, x_N)$ in the $\delta$-close regime $D_{\delta}= \cup_{i…
We consider the optimal transport problem over convex costs arising from optimal control of linear time-invariant(LTI) systems when the initial and target measures are assumed to be supported on the set of equilibrium points of the LTI…
We analyze optimal transport problems with additional entropic cost evaluated along curves in the Wasserstein space which join two probability measures $m_0,m_1$. The effect of the additional entropy functional results into an elliptic…
We introduce a fractional Klein-Kramers equation which describes sub-ballistic superdiffusion in phase space in the presence of a space-dependent external force field. This equation defines the differential L{\'e}vy walk model whose…
Existing Quantum Monte Carlo studies have investigated the properties of fermions on a Lieb (CuO$_2$) lattice interacting with an on-site, or near-neighbor electron-electron coupling. Attention has focused on the interplay of such…
This paper introduces a numerical algorithm to compute the $L_2$ optimal transport map between two measures $\mu$ and $\nu$, where $\mu$ derives from a density $\rho$ defined as a piecewise linear function (supported by a tetrahedral mesh),…
In this paper we develop a general theory of compressed sensing for analog signals, in close similarity to prior results for vectors in finite dimensional spaces that are sparse in a given orthonormal basis. The signals are modeled by…
Local spin density approximation calculations are used to elucidate electronic and magnetic properties of Heusler structure Fe_2VAl. The compound is found to be a low carrier density semimetal. The Fermi surface has small hole pockets…
This paper is concerned with the numerical minimization of energy functionals in Hilbert spaces involving convex constraints coinciding with a semi-norm for a subspace. The optimization is realized by alternating minimizations of the…
We extend a recent formulation of quantum continuum mechanics [J. Tao et. al, Phys. Rev. Lett. {\bf 103}, 086401 (2009)] to many-body systems subjected to a magnetic field. To accomplish this, we propose a modified Lagrangian approach, in…
Existence and local-uniqueness theorems for weak solutions of a system consisting of the drift-diffusion-Poisson equations and the Poisson-Boltzmann equation, all with stochastic coefficients, are presented. For the numerical approximation…
In this paper we introduce the class of infinite infimal convolution functionals and apply these functionals to the regularization of ill-posed inverse problems. The proposed regularization involves an infimal convolution of a continuously…
In this work, we propose a sparse transformer architecture that incorporates prior information about the underlying data distribution directly into the transformer structure of the neural network. The design of the model is motivated by a…
Recent advances in laser technology enable to follow electronic motion at its natural time-scale with ultrafast pulses, leading the way towards atto- and femtosecond spectroscopic experiments of unprecedented resolution. Understanding of…