Related papers: Performance of a black-box-type rovibrational meth…

Deep regression trackers are among the fastest tracking algorithms available, and therefore suitable for real-time robotic applications. However, their accuracy is inadequate in many domains due to distribution shift and overfitting. In…

This paper presents a novel approach that combines the Deep Ritz Method (DRM) with Fourier feature mapping to solve minimization problems comprised of multi-well, non-convex energy potentials. These problems present computational challenges…

In derivative-free and blackbox optimization, the objective function is often evaluated through the execution of a computer program seen as a blackbox. It can be noisy, in the sense that its outputs are contaminated by random errors.…

Discrete flow mapping was recently introduced as an efficient ray based method determining wave energy distributions in complex built up structures. Wave energy densities are transported along ray trajectories through polygonal mesh…

We significantly enhance the simulation accuracy of initial Trotter circuits for Hamiltonian simulation of quantum systems by integrating first-order Riemannian optimization with tensor network methods. Unlike previous approaches, our…

We calculate rovibrational energy levels of H$_2$O using a trapped-ion quantum computer. We first derive the qubit form of Watson's Hamiltonian, including the rovibrational coupling terms. In a second step, we employ a variant of the…

The stretching and bending vibrations of methane are studied in the framework of a symmetry-adapted algebraic model. The model is based on the realization of the one-dimensional Morse potential in terms of a $U(2)$ algebra. For the 44…

In this paper we present an adaptive discretization technique for solving elliptic partial differential equations via a collocation radial basis function partition of unity method. In particular, we propose a new adaptive scheme based on…

One difficulty in developing numerical methods for hyperbolic systems of conservation laws is the fact that solutions often contain regions where much higher resolution is required than elsewhere in the domain, particularly since the…

We present an adaptive multiresolution method for the numerical simulation of ideal magnetohydrodynamics in two space dimensions. The discretization uses a finite volume scheme based on a Cartesian mesh and an explicit compact Rung-Kutta…

Representing massless Dirac fermions on a spatial lattice poses a potential challenge known as the Fermion Doubling problem. Addition of a quadratic term to the Dirac Hamiltonian circumvents this problem. We show that the modified…

Methodological progress is reported in the challenging direction of a black-box-type variational solution of the (ro)vibrational Schr\"odinger equation applicable to floppy, polyatomic systems with multiple large-amplitude motions. This…

We consider second-order PDE problems set in unbounded domains and discretized by Lagrange finite elements on a finite mesh, thus introducing an artificial boundary in the discretization. Specifically, we consider the reaction diffusion…

The trade-off between throughput and image quality is an inherent challenge in microscopy. To improve throughput, compressive imaging under-samples image signals; the images are then computationally reconstructed by solving a regularized…

In this paper, a novel derivative-free pattern search based algorithm for Black-box optimization is proposed over a simplex constrained parameter space. At each iteration, starting from the current solution, new possible set of solutions…

Achievement of solutions in Navier-Stokes equation is one of challenging quests, especially for its closure problem. For achievement of particular solutions, there are variety of numerical simulations including Direct Numerical Simulation…

In (J. Comput. Phys., 417, 109577, 2020) we introduced a space-time embedded-hybridizable discontinuous Galerkin method for the solution of the incompressible Navier-Stokes equations on time-dependent domains of which the motion of the…

We present a new method, called Analysis-of-marginal-Tail-Means (ATM), for effective robust optimization of discrete black-box problems. ATM has important applications to many real-world engineering problems (e.g., manufacturing…

Adversarial Robustness Distillation (ARD) is a promising task to solve the issue of limited adversarial robustness of small capacity models while optimizing the expensive computational costs of Adversarial Training (AT). Despite the good…

We study the vibrational spectrum of the protonated water dimer, by means of a divide-and-conquer semiclassical initial value representation of the quantum propagator, as a first step in the study of larger protonated water clusters. We use…