相关论文: Finding pathways between distant local minima
Given a rectilinear domain $\mathcal{P}$ of $h$ pairwise-disjoint rectilinear obstacles with a total of $n$ vertices in the plane, we study the problem of computing bicriteria rectilinear shortest paths between two points $s$ and $t$ in…
Given a public transportation network, which and how many passenger routes can potentially be shortest paths, when all possible timetables are taken into account? This question leads to shortest path problems on graphs with interval costs…
In this work, we present a transition-state optimization protocol based on the Mode-Tracking algorithm [J. Chem. Phys. 118 (2003) 1634]. By calculating only the eigenvector of interest instead of diagonalizing the full Hessian matrix and…
Let $G=(V,E)$ be a simple, connected graph. One is often interested in a short path between two vertices $u,v$. We propose a spectral algorithm: construct the function $\phi:V \rightarrow \mathbb{R}_{\geq 0}$ $$ \phi = \arg\min_{f:V…
Algorithms which compute properties over graphs have always been of interest in computer science, with some of the fundamental algorithms, such as Dijkstra's algorithm, dating back to the 50s. Since the 70s there as been interest in…
The efficient computation of shortest paths in complex networks is essential to face new challenges related to critical infrastructures such as a near real-time monitoring and control and the management of big size systems. In particular,…
Images conveniently capture the result of physical processes, representing rich source of information for data driven medicine, engineering, and science. The modeling of an image as a graph allows the application of graph-based algorithms…
A method to reconstruct the energy landscape of small peptides is presented with reference to a 2d off--lattice model. The starting point is a statistical analysis of the configurational distances between generic minima and directly…
The minimum energy path (MEP) is the most probable transition path that connects two equilibrium states of a potential energy landscape. It has been widely used to study transition mechanisms as well as transition rates in the fields of…
We present the generic Dijkstra shortest path algorithm: an efficient algorithm for finding a shortest path in an optical network, both in a wavelength-division multiplexed network, and an elastic optical network (EON). The proposed…
We consider the problem of finding minimum-link rectilinear paths in rectilinear polygonal domains in the plane. A path or a polygon is rectilinear if all its edges are axis-parallel. Given a set $\mathcal{P}$ of $h$ pairwise-disjoint…
A computational framework is presented for the sampling of the energy surface of magnetic systems via the systematic identification of first-order saddle points that determine connectivity of metastable states and define the mechanisms of…
We implemented a gradient-based algorithm for transition state search which uses Gaussian process regression. Besides a description of the algorithm, we provide a method to find the starting point for the optimization if only the reactant…
We propose a general theory to describe the distribution of protein-folding transition paths. We show that transition paths follow a predictable sequence of high-free-energy transient states that are separated by free-energy barriers. Each…
We show how to combine two techniques for efficiently computing shortest paths in directed planar graphs. The first is the linear-time shortest-path algorithm of Henzinger, Klein, Subramanian, and Rao [STOC'94]. The second is Fakcharoenphol…
Differential dynamic programming (DDP) is a widely used and powerful trajectory optimization technique, however, due to its internal structure, it is not exempt from local minima. In this paper, we present Differential Dynamic Programming…
We perform an experimental evaluation of algorithms for finding geodesic shortest paths between two points inside a simple polygon in the constant-workspace model. In this model, the input resides in a read-only array that can be accessed…
In this paper, we introduced a novel approach to computing the fewest-turn map directions or routes based on the concept of natural roads. Natural roads are joined road segments that perceptually constitute good continuity. This approach…
Constructing a shortest path between two network nodes is a fundamental task in distributed computing. This work develops schemes for the construction of shortest paths in randomized beeping networks between a predetermined source node and…
Fractal structure of shortest paths depends strongly on interresidue interaction cutoff distance. The dimensionality of shortest paths is calculated as a function of interaction cutoff distance. Shortest paths are self similar with a…