Related papers: A minimizing principle for the Poisson-Boltzmann e…
In a continuum model of the solvation of charged molecules in an aqueous solvent, the classical Poisson-Boltzmann (PB) theory is generalized to include the solute point charges and the dielectric boundary that separates the high-dielectric…
We consider minimization of functions that are compositions of convex or prox-regular functions (possibly extended-valued) with smooth vector functions. A wide variety of important optimization problems fall into this framework. We describe…
With already demonstrated in previous work the equations that describe the space dependence of the electric potential are determined by the solution of the equation of Poisson-Boltzmann. In this work we consider these solutions for the…
The Poisson-Boltzmann equation (PBE) is an implicit solvent continuum model for calculating the electrostatic potential and energies of ionic solvated biomolecules. However, its numerical solution remains a significant challenge due strong…
In this paper, we study the minimax rates and provide an implementable convex algorithm for Poisson inverse problems under weak sparsity and physical constraints. In particular we assume the model $y_i \sim \mbox{Poisson}(Ta_i^{\top}f^*)$…
This paper presents a stochastic block-coordinate proximal Newton method for minimizing the sum of a blockwise Lipschitz-continuously differentiable function and a separable nonsmooth convex function. At each iteration, the method randomly…
This work proposes a fast iterative method for local steric Poisson--Boltzmann (PB) theories, in which the electrostatic potential is governed by the Poisson's equation and ionic concentrations satisfy equilibrium conditions. To present the…
We generalize the Donsker-Varadhan minimax formula for the principal eigenvalue of a uniformly elliptic operator in nondivergence form to the first principal half-eigenvalue of a fully nonlinear operator which is concave (or convex) and…
The problem of minimizing convex functionals of probability distributions is solved under the assumption that the density of every distribution is bounded from above and below. A system of sufficient and necessary first-order optimality…
The Poisson-Boltzmann (PB) equation provides a mean-field theory of electrolyte solutions at interfaces and in confinement, describing how ions reorganize close to charged surfaces to form the so-called electrical double layer (EDL), with…
In this paper we study a general class of nonlinear elliptic problems in divergence form. First, we prove that the solutions to these problems satisfy a convexity property when the given domain is strictly convex. Then, making use of this…
In this paper we investigate a class of $2$-Hessian equations and establish a minimum principle for a $P$-function in the sense of L.E. Payne (see R. Sperb \cite{Sp81}). The analysis is based on a sharp matrix inequality providing an…
The accurate modeling of the dielectric properties of water is crucial for many applications in physics, computational chemistry and molecular biology. This becomes possible in the framework of nonlocal electrostatics, for which we propose…
Non-convex optimization is ubiquitous in modern machine learning. Researchers devise non-convex objective functions and optimize them using off-the-shelf optimizers such as stochastic gradient descent and its variants, which leverage the…
For numerical approximation the reformulation of a PDE as a residual minimisation problem has the advantages that the resulting linear system is symmetric positive definite, and that the norm of the residual provides an a posteriori error…
We develop a variational approach to the minimization problem of functionals of the type $\frac12\left\lVert \nabla \phi \right\rVert^2_2 + \beta \left\lVert \phi \right\rVert_1$ constrained by $\left\lVert \phi \right\rVert_2 = 1$ which is…
In this paper we study the value function of Bolza problems governed by stochastic difference equations, with particular emphasis on the convex non-anticipative case. Our goal is to provide some insights on the structure of the…
The Boltzmann equation without an angular cutoff is considered when the initial data is a small perturbation of a global Maxwellian with an algebraic decay in the velocity variable. A well-posedness theory in the perturbative framework is…
We introduce two different ways of coupling local and nonlocal equations with Neumann boundary conditions in such a way that the resulting model is naturally associated with an energy functional. For these two models we prove that there is…
In this paper we study the regularity of the local minima of integral functionals: in particular, not convexity (quasi-convexity, policonvexity or rank one convexity) hypothesis will be made on the density, neither structure hypothesis nor…