Related papers: Energy minimization using Sobolev gradients: appli…
Distributed order fractional operators offer a rigorous tool for mathematical modelling of multi-physics phenomena, where the differential orders are distributed over a range of values rather than being just a fixed integer/fraction as it…
In this paper, we study a new class of fractional partial differential equations which are obtained by minimizing variational problems in fractional Sobolev spaces. We introduce a notion of fractional gradient which has the potential to…
Distributing points on a (possibly high-dimensional) sphere with minimal energy is a long-standing problem in and outside the field of mathematics. This paper considers a novel energy function that arises naturally from statistics and…
Efficient algorithms for the calculation of minimum energy paths of magnetic transitions are implemented within the geodesic nudged elastic band (GNEB) approach. While an objective function is not available for GNEB and a traditional line…
We study minimal energy problems for strongly singular Riesz kernels on a manifold. Based on the spatial energy of harmonic double layer potentials, we are motivated to formulate the natural regularization of such problems by switching to…
Using molecular simulation, we determine Ginzburg-Landau free energy functions for molecular fluids. To this aim, we extend the Expanded Wang-Landau method to calculate the partition functions, number distributions and Landau free energies…
Equations built on fractional derivatives prove to be a powerful tool in the description of complex systems when the effects of singularity, fractal supports, and long-range dependence play a role. In this paper, we advocate an application…
It is known that a Green's function-type condition may be used to derive rates for approximation by radial basis functions (RBFs). In this paper, we introduce a method for obtaining rates for approximation by functions which can be…
We study the estimation of quadratic Sobolev-type integral functionals of an unknown density on the unit sphere. The functional is defined through fractional powers of the Laplace--Beltrami operator and provides a global measure of…
We study a simplification of GAN training: the problem of transporting particles from a source to a target distribution. Starting from the Sobolev GAN critic, part of the gradient regularized GAN family, we show a strong relation with…
The maximal conserved phase gradient is introduced as an order parameter to characterize the transition from phase- to defect-turbulence in the complex Ginzburg-Landau equation. It has a finite value in the phase-turbulent regime and…
Observations which are realizations from some continuous process are frequent in sciences, engineering, economics, and other fields. We consider linear models, with possible random effects, where the responses are random functions in a…
This paper develops an enhanced finite element method for approximating a class of variational problems which exhibit the \textit{Lavrentiev gap phenomenon} in the sense that the minimum values of the energy functional have a nontrivial gap…
We consider the global minimization of smooth functions based solely on function evaluations. Algorithms that achieve the optimal number of function evaluations for a given precision level typically rely on explicitly constructing an…
The various ways to reduce number of vectors describing condition of particles for high energy physics problems are presented. In particular decomposition of any vector with respect to the basis, consisting of any four linearly independent…
The notion of pointwise differentials for distributions is a way to extract local information of distributions by rescaling the distribution at a point. In this paper, we study the pointwise differentials for distributions corresponding to…
We explore whether the topology of energy landscapes in chemical systems obeys any rules and what these rules are. To answer this and related questions we use several tools: (i)Reduced energy surface and its density of states, (ii)…
The solvability in Sobolev spaces is proved for divergence form complex-valued higher order parabolic systems in the whole space, on a half space, and on a Reifenberg flat domain. The leading coefficients are assumed to be merely measurable…
By proving an estimate of the sublevel sets for $(\omega,m)$-subharmonic functions we obtain a Sobolev type inequality that is then used to characterize the degenerate complex Hessian equations for such functions with bounded…
Solving the Euler equation which corresponds to the energy minimum of a density functional expressed in orbital-free form involves related but distinct computational challenges. One is the choice between all-electron and pseudo-potential…