Related papers: 2-D Cluster Variation Method Free Energy: Fundamen…
We present the Continuous Empirical Cubature Method (CECM), a novel algorithm for empirically devising efficient integration rules. The CECM aims to improve existing cubature methods by producing rules that are close to the optimal,…
The phase diagram of a vertex model introduced by P. Di Francesco (Nucl. Phys. B 525, 507 1998) representing the configurations of a square lattice which can fold with different bending energies along the main axes and the diagonals has…
The multi-reference Coupled Cluster method first proposed by Meller et al (J. Chem. Phys. 1996) has been implemented and tested. Guess values of the amplitudes of the single and double excitations (the ${\hat T}$ operator) on the top of the…
One dimensional (1D) simulations of the flow and flooding of open channels are known to be inaccurate as the flow is multi-dimensional in nature, especially at the flooded regions. However, multi-dimensional simulations, even in two…
The problems Cluster Vertex Deletion (or Cluster-VD) and its generalization s-Club Cluster Vertex Deletion (or s-Club-VD, for any integer s>= 1), have been introduced with the aim of detecting highly-connected parts in complex systems.…
We introduce a variational approach for extracting curves between a list of possible endpoints, based on the discretization of an energy and Smirnov's decomposition theorem for vector fields. It is used to design a bi-level minimization…
The well-known Cluster Vertex Deletion problem (CVD) asks for a given graph $G$ and an integer $k$ whether it is possible to delete a set $S$ of at most $k$ vertices of $G$ such that the resulting graph $G-S$ is a cluster graph (a disjoint…
We have studied electron correlations in the doped two-dimensional (2D) Hubbard model by using the coupled-cluster method (CCM) to investigate whether or not the method can be applied to correct the independent particle approximations…
We introduce a simplified method to model the interatomic interactions of high entropy alloys based on a lookup table of cluster energies. These interactions are employed in replica exchange Monte Carlo simulations with histogram analysis…
We investigate the charge- and spin dynamical structure factors for the 2D one-band Hubbard model in the strong coupling regime within an extension of the Dynamical Cluster Approximation (DCA) to two-particle response functions. The full…
The method of calculating the free energy and thermodynamic characteristics of the classical n-vector three-dimensional (3D) magnetic model at the microscopic level without any adjustable parameters is proposed. Mathematical description is…
This paper presents an efficient optimization technique for gridless {2-D} line spectrum estimation, named decoupled atomic norm minimization (D-ANM). The framework of atomic norm minimization (ANM) is considered, which has been…
Subspace clustering methods have been widely studied recently. When the inputs are 2-dimensional (2D) data, existing subspace clustering methods usually convert them into vectors, which severely damages inherent structures and relationships…
An introductory exposition of the virtual element method (VEM) is provided. The intent is to make this method more accessible to those unfamiliar with VEM. Familiarity with the finite element method for solving 2D linear elasticity problems…
A differential cluster variation method (DCVM) is proposed for analysis of spinoidal decomposition in alloys. In this method, lattice symmetry operations in the presence of an infinitesimal composition gradient are utilized to deduce the…
Enhanced sampling techniques such as umbrella sampling and metadynamics are now routinely used to provide information on how the thermodynamic potential, or free energy, depends on a small number of collective variables. The free energy…
Enhanced sampling simulations make the computational study of rare events feasible. A large family of such methods crucially depends on the definition of some collective variables (CVs) that could provide a low-dimensional representation of…
We consider, as a simple model problem, the application of Virtual Element Methods (VEM) to the linear Magnetostatic three-dimensional problem in the formulation of F. Kikuchi. In doing so, we also introduce new serendipity VEM spaces,…
The cluster variation method (CVM) is an approximation technique which generalizes the mean field approximation and has been widely applied in the last decades, mainly for finding accurate phase diagrams of Ising-like lattice models. Here…
Despite the tremendous success of convolutional neural networks (CNNs) in computer vision, the mechanism of CNNs still lacks clear interpretation. Currently, class activation mapping (CAM), a famous visualization technique to interpret…