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Many optimization problems require hyperparameters, i.e., parameters that must be pre-specified in advance, such as regularization parameters and parametric regularizers in variational regularization methods for inverse problems, and…
The grand potential of a system of interacting electrons is considered as a stationary point of a self-energy functional. It is shown that a rigorous evaluation of the functional is possible for self-energies that are representable within a…
In this work we introduce a procedure to find localized structures with finite energy. We start dealing with global monopoles, and add a new contribution to the potential of the scalar fields, to balance the contribution of the angular…
A novel representation is developed as a measure for multilinear fractional embedding. Corresponding extensions are given for the Bourgain-Brezis-Mironescu theorem and Pitt's inequality. New results are obtained for diagonal trace…
Random cost simulations were introduced as a method to investigate optimization problems in systems with conflicting constraints. Here I study the approach in connection with the training of a feed-forward multilayer perceptron, as used in…
An algorithm, based on numerical description of the terms of many-body perturbation theory (Goldstone diagrams), is presented. The algorithm allows the use of the same piece of computer code to evaluate any particular diagram in any…
We present a well-posedness and stability result for a class of nondegenerate linear parabolic equations driven by rough paths. More precisely, we introduce a notion of weak solution that satisfies an intrinsic formulation of the equation…
Zeroth-order methods are extensively used in machine learning applications where gradients are infeasible or expensive to compute, such as black-box attacks, reinforcement learning, and language model fine-tuning. Existing optimization…
We study the properties of the Ginzburg-Laundau model in the self-dual point for a two-dimensional finite system . By a numerical calculation we analyze the solutions of the Euler-Lagrange equations for a cylindrically symmetric ansatz. We…
In the given paper we describe methods finding analytical gradients (derivatives) of solvation energy over atomic coordinates. It is made both for not polar energy and for the polar energy found by methods PCM, COSMO and SGB. These…
We consider the Euler-Lagrange equation of Sobolev trace inequality and prove several classification results. Exploiting the moving sphere method, it has been shown, when $p=2$, positive solutions of Euler-Lagrange equation of Sobolev trace…
Among numerical methods for partial differential equations arising from steepest descent dynamics of energy functionals (e.g., Allen-Cahn and Cahn-Hilliard equations), the convex splitting method is well-known to maintain unconditional…
We present here a new image inpainting algorithm based on the Sobolev gradient method in conjunction with the Navier-Stokes model. The original model of Bertalmio et al is reformulated as a variational principle based on the minimization of…
To facilitate widespread adoption of automated engineering design techniques, existing methods must become more efficient and generalizable. In the field of topology optimization, this requires the coupling of modern optimization methods…
Functional bilevel methods estimate a lower-level function and plug it into a hypergradient, but this plug-in gradient can retain first-order bias when the lower-level problem is learned nonparametrically. To remove this bias, we develop a…
The ground state energy of a many-electron system can be approximated by an variational approach in which the total energy of the system is minimized with respect to one and two-body reduced density matrices (RDM) instead of many-electron…
The joint use of counting functions, Hilbert basis and Markov basis allows to define a procedure to generate all the fractions that satisfy a given set of constraints in terms of orthogonality. The general case of mixed level designs,…
We develop characterizations for Sobolev spaces of potential type on graded Lie groups, by means of Littlewood-Paley square functions, and Strichartz functionals involving second-order differences. A key role is played by some mean value…
We study a variational problem on $H^1({\mathbb R})$ under an $L^\infty$-constraint related to Sobolev-type inequalities for a class of generalized potentials, including $L^p$-potentials, non-positive potentials, and signed Radon measures.…
Through the main example of the Ornstein-Uhlenbeck semigroup, the Bakry-Emery criterion is presented as a main tool to get functional inequalities as Poincar\'e or logarithmic Sobolev inequalities. Moreover an alternative method using the…