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Energy-Based Models (EBMs) present a flexible and appealing way to represent uncertainty. Despite recent advances, training EBMs on high-dimensional data remains a challenging problem as the state-of-the-art approaches are costly, unstable,…

Machine Learning · Computer Science 2021-06-08 Will Grathwohl , Jacob Kelly , Milad Hashemi , Mohammad Norouzi , Kevin Swersky , David Duvenaud

We study compressible and incompressible nonlinear elasticity variational problems in a general context. Our main result gives a sufficient condition for an equilibrium to be a global energy minimizer, in terms of convexity properties of…

Analysis of PDEs · Mathematics 2020-11-04 Nassif Ghoussoub , Young-Heon Kim , Hugo Lavenant , Aaron Zeff Palmer

We propose and justify a new approach for fast calculation of the electrostatic interaction energy of clusters of charged particles in constrained energy minimization in the framework of rigid protein-ligand docking. Our ``blind search''…

Numerical Analysis · Mathematics 2025-10-31 Peter Benner , Boris N. Khoromskij , Venera Khoromskaia , Matthias Stein

For solving the longstanding materials science problem of correlating elastic properties of a solid material to the formation of cracks we present a new general concept. This concept is applied to the technologically most important cracks…

Materials Science · Physics 2007-05-23 Petr Lazar , Raimund Podloucky , Walter Wolf

A static variational model for shape formation in heteroepitaxial crystal growth is considered. The energy functional takes into account surface energy, elastic misfit-energy and nucleation energy of dislocations. A scaling law for the…

Analysis of PDEs · Mathematics 2024-03-21 Lukas Abel , Janusz Ginster , Barbara Zwicknagl

We discuss a 1D variational problem modeling an elastic sheet on water, lifted at one end. Its terms include the membrane and bending energy of the sheet as well as terms due to gravity and surface tension. By studying a suitable…

Analysis of PDEs · Mathematics 2020-05-20 David Padilla-Garza

We consider the elastic energy of a hanging drape -- a thin elastic sheet, pulled down by the force of gravity, with fine-scale folding at the top that achieves approximately uniform confinement. This example of energy-driven pattern…

Analysis of PDEs · Mathematics 2015-07-30 Peter Bella , Robert V. Kohn

Energy-based models are a simple yet powerful class of probabilistic models, but their widespread adoption has been limited by the computational burden of training them. We propose a novel loss function called Energy Discrepancy (ED) which…

Machine Learning · Statistics 2023-11-28 Tobias Schröder , Zijing Ou , Jen Ning Lim , Yingzhen Li , Sebastian J. Vollmer , Andrew B. Duncan

We propose an edge averaged finite element(EAFE) discretization to solve the Heat-PNP (Poisson-Nernst-Planck) equations approximately. Our method enforces positivity of the computed charged density functions and temperature function. Also…

Numerical Analysis · Mathematics 2019-11-20 Simo Wu , Chun Liu , Ludmil Zitakanov

Nonlinear elastic responses of short and stiff polyelectrolytes are investigated by dynamic simulations on a single molecule level. When a polyelectrolyte condensate undergoes a mechanical unfolding, two types of force-extension curves,…

Soft Condensed Matter · Physics 2009-11-10 Hirofumi Wada , Yoshihiro Murayama , Masaki Sano

We consider the numerical computation of a variational problem that arises from materials science. The target functional is a type of elastic energy that is influenced by obstacles and adhesion. Owing to its strong nonlinearity and…

Numerical Analysis · Mathematics 2016-04-13 T. Kemmochi

Exact free energy minimization is a convex optimization problem that is usually approximated with stochastic sampling methods. Deterministic approximations have been less successful because many desirable properties have been difficult to…

Computational Physics · Physics 2016-03-17 Jonathan E. Moussa

We consider a setting in which an evolving surface is implicitly characterized as the zero level of a level set function. Such an implicit surface does not encode any information about the path of a single point on the evolving surface. In…

Numerical Analysis · Mathematics 2026-02-02 Tilman Aleman , Arnold Reusken

For a wide class of Hamiltonians, a novel method to obtain lower and upper bounds for the lowest energy is presented. Unlike perturbative or variational techniques, this method does not involve the computation of any integral (a…

Quantum Physics · Physics 2009-11-10 Amaury Mouchet

Among lattice configurations of densely packed hard ellipses, Monte Carlo simulations are used to identify the so-called parallel and diagonal lattices as the two favourable states. The free energies of these two states are computed for…

Soft Condensed Matter · Physics 2024-03-27 Susanne Wagner , Gerhard Kahl , Roman Melnyk , Andrij Baumketner

We construct stable axially symmetric models of elliptical galaxies. The particle density on phase space for these models depends monotonically on the particle energy and on the third component of the angular momentum. They are obtained as…

Astrophysics · Physics 2009-11-07 Yan Guo , Gerhard Rein

This paper is concerned with the analysis and implementation of robust finite element approximation methods for mixed formulations of linear elasticity problems where the elastic solid is almost incompressible. Several novel a posteriori…

Numerical Analysis · Mathematics 2018-06-15 Arbaz Khan , Catherine E. Powell , David J. Silvester

A class of A.L.E. time discretisations which inherit key energetic properties (nonlinear dissipation in the absence of forcing and long-term stability under conditions of time dependent loading), irrespective of the time increment employed,…

Fluid Dynamics · Physics 2015-06-26 S. J. Childs

We consider a stationary process (with either discrete or continuous time) and find an adaptive approximating stationary process combining approximation quality and supplementary good properties that can be interpreted as additional…

Probability · Mathematics 2020-02-19 Zakhar Kabluchko , Mikhail Lifshits

We show convergence of a cell-centered finite volume discretization for linear elasticity. The discretization, termed the MPSA method, was recently proposed in the context of geological applications, where cell-centered variables are often…

Numerical Analysis · Mathematics 2017-05-19 Jan Martin Nordbotten
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