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A variational solution procedure is reported for the many-particle no-pair Dirac-Coulomb-Breit Hamiltonian aiming at a parts-per-billion (ppb) convergence of the atomic and molecular energies, described within the fixed nuclei…
We introduce the \emph{submodular objectives chasing problem}, which generalizes many natural and previously-studied problems: a sequence of constrained submodular maximization problems is revealed over time, with both the objective and…
We describe novel subgradient methods for a broad class of matrix optimization problems involving nuclear norm regularization. Unlike existing approaches, our method executes very cheap iterations by combining low-rank stochastic…
In this paper, the Lorentz covariance of algorithms is introduced. Under Lorentz transformation, both the form and performance of a Lorentz covariant algorithm are invariant. To acquire the advantages of symplectic algorithms and Lorentz…
The wave equation for spinless particles with the Lorentz violating term is considered. We formulate the third-order in derivatives wave equation leading to the modified dispersion relation. The first-order formalism is considered and the…
In this paper, we apply the coordinate increment discrete gradient (CIDG) method to solve the Lorentz force system which can be written as a non-canonical Hamiltonian system. Then we can obtain a new energy-preserving CIDG-I method for the…
Ordinary differential equations (ODEs) are fundamental tools for modeling complex dynamic systems across scientific disciplines. However, parameter estimation in ODE models is challenging due to the multimodal nature of the likelihood…
Three non-equilibrium photoionisation algorithms for hydrodynamical grid-based simulation codes are compared in terms of accuracy, timestepping criteria, and parallel scaling. Explicit methods with first-order time accuracy for photon…
We propose and analyze a class of particle methods for the Vlasov equation with a strong external magnetic field in a torus configuration. In this regime, the time step can be subject to stability constraints related to the smallness of…
We construct a particle integrator for nonrelativistic particles by means of the splitting method based on the exact flow of the equation of motion of particles in the presence of constant electric and magnetic field. This integrator is…
A standard approach to approximate inference in state-space models isto apply a particle filter, e.g., the Condensation Algorithm.However, the performance of particle filters often varies significantlydue to their stochastic nature.We…
In this paper, we consider variants of Newton-MR algorithm for solving unconstrained, smooth, but non-convex optimization problems. Unlike the overwhelming majority of Newton-type methods, which rely on conjugate gradient algorithm as the…
We report a computational strategy to obtain the charges of individual dielectric particles from experimental observation of their interactions as a function of time. This strategy uses evolutionary optimization to minimize the difference…
We develop a new relativistic radiation hydrodynamics code based on the Monte-Carlo algorithm. In this code, we implement a new scheme to achieve the second-order accuracy in time in the limit of a large packet number for solving the…
In this paper, energy-preserving methods are formulated and studied for solving charged-particle dynamics. We first formulate the scheme of energy-preserving methods and analyze its basic properties including algebraic order and symmetry.…
Greedy point insertion algorithms have emerged as an attractive tool for the solution of minimization problems over the space of Radon measures. Conceptually, these methods can be split into two phases: first, the computation of a new…
Calculating optimal policies is known to be computationally difficult for Markov decision processes (MDPs) with Borel state and action spaces. This paper studies finite-state approximations of discrete time Markov decision processes with…
It is demonstrated that the inherent structure of Boris pusher may result in the accumulation of errors in numerical integration when estimating the works of electric fields on particles. This, in turn, leads to an incorrect estimations of…
A new methodology is developed to integrate numerically the equations of motion for classical many-body systems in molecular dynamics simulations. Its distinguishable feature is the possibility to preserve, independently on the size of the…
Many proposals have already been made for realizing programmable matter, ranging from shape-changing molecules, DNA tiles, and synthetic cells to reconfigurable modular robotics. Envisioning systems of nano-sensors devices, we are…