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We present a new theoretical framework for modelling the fusion process of Lennard-Jones (LJ) clusters. Starting from the initial tetrahedral cluster configuration, adding new atoms to the system and absorbing its energy at each step, we…
This note advertises a simple necessary condition for optimality that any list $N\mapsto v^x(N)$ of computer-generated putative lowest average pair energies $v^x(N)$ of clusters that consist of $N$ monomers has to satisfy, whenever the…
Compute-and-Forward (C&F) has been proposed as an efficient strategy to reduce the backhaul load for the distributed antenna systems. Finding the optimal coefficients in C&F has commonly been treated as a shortest vector problem (SVP),…
The problem of packing a system of particles as densely as possible is foundational in the field of discrete geometry and is a powerful model in the material and biological sciences. As packing problems retreat from the reach of solution by…
A review of the properties that bond the particles under Lennard Jones Potential allow to states properties and conditions for building evolutive algorithms using the CB lattice with other different lattices. The new lattice is called CB…
Lennard-Jones clusters, while an easy system, have a significant number of non equivalent configurations that increases rapidly with the number of atoms in the cluster. Here, we aim at determining the cluster partition function; we use the…
We consider the problem of clustering data that reside on discrete, low dimensional lattices. Canonical examples for this setting are found in image segmentation and key point extraction. Our solution is based on a recent approach to…
In this paper, we consider classic randomized low diameter decomposition procedures for planar graphs that obtain connected clusters which are cohesive in that close-by pairs of nodes are assigned to the same cluster with high probability.…
We present a new theoretical framework for modelling the cluster growing process. Starting from the initial tetrahedral cluster configuration, adding new atoms to the system and absorbing its energy at each step, we find cluster growing…
In a previous paper we investigated means for constraining the mass distribution of cluster galaxies by weak lensing. We concluded that a comprehensive method should treat the lensing effects of individual cluster galaxies and those…
This letter presents a new spectral-clustering-based approach to the subspace clustering problem. Underpinning the proposed method is a convex program for optimal direction search, which for each data point d finds an optimal direction in…
Protein structure prediction based on Hydrophobic-Polar energy model essentially becomes searching for a conformation having a compact hydrophobic core at the center. The hydrophobic core minimizes the interaction energy between the amino…
We analyze the structure diagram for binary clusters of Lennard-Jones particles by means of a global optimization approach for a large range of cluster sizes, compositions and interaction energies and present a publicly accessible database…
Obtaining the low-energy configurations of spin glasses that have rugged energy landscapes is of direct relevance to combinatorial optimization and fundamental science. Search-based heuristics have difficulty with this task due to the…
Discrete optimization is a central problem in mathematical optimization with a broad range of applications, among which binary optimization and sparse optimization are two common ones. However, these problems are NP-hard and thus difficult…
Finding "densely connected clusters" in a graph is in general an important and well studied problem in the literature \cite{Schaeffer}. It has various applications in pattern recognition, social networking and data mining…
We describe a global optimization technique using `basin-hopping' in which the potential energy surface is transformed into a collection of interpenetrating staircases. This method has been designed to exploit the features which recent work…
We address the problem of clustering a set of points in $\mathbb{R}^d$ with axis-parallel clusters. Previous exact approaches to this problem are mostly based on integer programming formulations and can only solve to optimality instances of…
This article presents a new search algorithm for the NP-hard problem of optimizing functions of binary variables that decompose according to a graphical model. It can be applied to models of any order and structure. The main novelty is a…
Linear Predictive Clustering (LPC) partitions samples based on shared linear relationships between feature and target variables, with numerous applications including marketing, medicine, and education. Greedy optimization methods, commonly…