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Shortest path algorithms have played a key role in the past century, paving the way for modern day GPS systems to find optimal routes along static systems in fractions of a second. One application of these algorithms includes optimizing the…
We present a systematic performance analysis of first-principles basin-hopping (BH) runs, with the target to identify all low-energy isomers of small Si and Cu clusters described within density-functional theory. As representative and…
Lens designers routinely use optimization in their everyday practice. Local optimization algorithms lead to the nearest minimum. In this paper, a new deterministic approach for multi-extremum optimization is proposed. Optimal solutions for…
We present a scheme improving the minimum-mode following method for finding first order saddle points by confining the displacements of atoms to the subset of those subject to the largest force. By doing so it is ensured that the…
We present a comparative study of the application of a recently introduced heuristic algorithm to the optimization of transport on three major types of complex networks. The algorithm balances network traffic iteratively by minimizing the…
The powerful molecular dynamics (MD) simulation is basically based on a picture that the atoms experience classical-like trajectories under the exertion of classical force field determined by the quantum mechanically solved electronic…
The trade-off between computation time and path optimality is a key consideration in motion planning algorithms. While classical sampling based algorithms fall short of computational efficiency in high dimensional planning, learning based…
A minimum Manhattan distance (MMD) approach to multiple criteria decision making in multiobjective optimization problems (MOPs) is proposed. The approach selects the final solution corresponding with a vector that has the MMD from a…
Recently, the mapping approach to surface hopping (MASH) was proposed as a method to simulate the non-adiabatic dynamics of two-level systems. It was shown that the method possesses many desirable qualities, both theoretically and through…
This work considers a Motion Planning Problem with Dynamic Obstacles (MPDO) in 2D that requires finding a minimum-arrival-time collision-free trajectory for a point robot between its start and goal locations amid dynamic obstacles moving…
This paper presents a dual method of closed-form analysis and lightweight simulation that enables an evaluation of the performance of mobile ad hoc networks that is more realistic, efficient, and accurate than those found in existing…
The properties of higher-index saddle points have been invoked in recent theories of the dynamics of supercooled liquids. Here we examine in detail a mapping of configurations to saddle points using minimization of $|\nabla E|^2$, which has…
In this paper, we present a receding-horizon, sampling-based planner capable of reasoning over multimodal policy distributions. By using the cross-entropy method to optimize a multimodal policy under a common cost function, our approach…
Trajectory optimization methods for motion planning attempt to generate trajectories that minimize a suitable objective function. Such methods efficiently find solutions even for high degree-of-freedom robots. However, a globally optimal…
In recent work, Lissovoi, Oliveto, and Warwicker (Artificial Intelligence (2023)) proved that the Move Acceptance Hyper-Heuristic (MAHH) leaves the local optimum of the multimodal CLIFF benchmark with remarkable efficiency. The $O(n^3)$…
Next-generation satellite systems require more flexibility in resource management such that available radio resources can be dynamically allocated to meet time-varying and non-uniform traffic demands. Considering potential benefits of beam…
The replica exchange method is a powerful tool for overcoming slow relaxation in molecular simulations, but its efficiency depends strongly on the choice of the number and interval of replicas and their exchange probabilities. Here, we…
This paper presents an optimal motion planning framework to generate versatile energy-optimal quadrupedal jumping motions automatically (e.g., flips, spin). The jumping motions via the centroidal dynamics are formulated as a 12-dimensional…
We consider move-making algorithms for energy minimization of multi-label Markov Random Fields (MRFs). Since this is not a tractable problem in general, a commonly used heuristic is to minimize over subsets of labels and variables in an…
It was recently demonstrated that a simple Monte Carlo (MC) algorithm involving the swap of particle pairs dramatically accelerates the equilibrium sampling of simulated supercooled liquids. We propose two numerical schemes integrating the…