We investigate the q-voter model with stochastic noise arising from independence on complex networks. Using the pair approximation, we provide a comprehensive, mathematical description of its behavior and derive a formula for the critical point. The analytical results are validated by carrying out Monte Carlo experiments. The pair approximation prediction exhibits substantial agreement with simulations, especially for networks with weak clustering and large average degree. Nonetheless, for the average degree close to q, some discrepancies originate. It is the first time we are aware of that the presented approach has been applied to the nonlinear voter dynamics with noise. Up till now, the analytical results have been obtained only for a complete graph. We show that in the limiting case the prediction of pair approximation coincides with the known solution on a fully connected network.
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http://dx.doi.org/10.1103/PhysRevE.95.012307 | DOI Listing |
Nat Commun
January 2025
Shanghai Key Laboratory of Molecular Catalysis and Innovation Materials, Collaborative Innovation Centre of Chemistry for Energy Materials, MOE Laboratory for Computational Physical Science, Department of Chemistry, Fudan University, Shanghai, China.
Hybrid density functionals, such as B3LYP and PBE0, have achieved remarkable success by substantially improving over their parent methods, namely Hartree-Fock and the generalized gradient approximation, and generally outperforming the second-order Møller-Plesset perturbation theory (MP2) that is more expensive. Here, we extend the linear scheme of hybrid multiconfiguration pair-density functional theory (HMC-PDFT) by incorporating a cross-entropy ingredient to balance the description of static and dynamic correlation effects, leading to a consistent improvement on both exchange and correlation energies. The B3LYP-like translated on-top functional (tB4LYP) developed along this line not only surpasses the accuracy of its parent methods, the complete active space self-consistent field (CASSCF) and the original MC-PDFT functionals (tBLYP and tB3LYP), but also outperforms the widely used complete active space second-order perturbation theory (CASPT2).
View Article and Find Full Text PDFGels
December 2024
Horváth Csaba Memorial Laboratory of Bioseparation Sciences, Research Center for Molecular Medicine, Faculty of Medicine, Doctoral School of Medicine, University of Debrecen, 4032 Debrecen, Hungary.
Hydrogels like agarose have long been used as sieving media for the electrophoresis-based analysis of biopolymers. During gelation, the individual agarose strands tend to form hydrogen-bond mediated double-helical structures, allowing thermal reversibility and adjustable pore sizes for molecular sieving applications. The addition of tetrahydroxyborate to the agarose matrix results in transitional chemical cross-linking, offering an additional pore size adjusting option.
View Article and Find Full Text PDFPhys Rev E
November 2024
Department of Fibre and Polymer Technology, KTH Royal Institute of Technology, SE10044 Stockholm, Sweden and Wallenberg Wood Science Center, KTH Royal Institute of Technology, SE10044 Stockholm, Sweden.
Motivated by the limitations of conventional coarse-grained molecular dynamics for simulation of large systems of nanoparticles and the challenges in efficiently representing general pair potentials for rigid bodies, we present a method for approximating general rigid body pair potentials based on a specialized type of deep neural network that maintains essential properties, such as conservation of energy and invariance to the chosen origins of the particles. The network uses a specialized geometric abstraction layer to convert the relative coordinates of the rigid bodies to input more suitable to a conventional artificial neural network, which is trained together with the specialized layer. This results in geometric representations of the particles optimized for the specific potential.
View Article and Find Full Text PDFInt J Mol Sci
November 2024
Grupo NanoTech, Facultad de Ingeniería y Ciencias Básicas, Fundación Universitaria Los Libertadores, Bogotá 111221, Colombia.
The Cooper-pair distribution function Dcp(ω,Tc) of Untwisted-Misaligned Bilayer Graphene (UMBLG) in the presence of an external electric field is calculated and analysed within the framework of first-principle calculations. A bilayer graphene structure is proposed using a structural geometric approximation, enabling the simulation of a structure rotated at a small angle, avoiding a supercell calculation. The Dcp(ω,Tc) function of UMBLG indicates the presence of the superconducting state for specific structural configurations, which is consistent with the superconductivity in Twisted Bilayer Graphene (TBLG) reported in the literature.
View Article and Find Full Text PDFSci Rep
December 2024
Faculty of Technology and Development, Zagazig University, Zagazig, 44519, Egypt.
To get enough data from experiments that last for a long time, a recently unique improved adaptive Type-II progressive censoring technique has been suggested. This study, taking this scheme into consideration, concentrates on some conventional and Bayesian estimation tasks for parameter and reliability indicators, where the underlying distribution is the Weibull-exponential. From a traditional point of view, the likelihood methodology is explored for gaining point and approximate confidence interval estimates.
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