The high-order Boltzmann machine (HOBM) approximates probability distributions defined on a set of binary variables, through a learning algorithm that uses Monte Carlo methods. The approximation distribution is a normalized exponential of a consensus function formed by high-degree terms and the structure of the HOBM is given by the set of weighted connections. We prove the convexity of the Kullback-Leibler divergence between the distribution to learn and the approximation distribution of the HOBM. We prove the convergence of the learning algorithm to the strict global minimum of the divergence, which corresponds to the maximum likelihood estimate of the connection weights, establishing the uniqueness of the solution. These theoretical results do not hold in the conventional Boltzmann machine, where the consensus function has first and second-degree terms and hidden units are used. Copyright 1996 Elsevier Science Ltd.
Download full-text PDF |
Source |
---|---|
http://dx.doi.org/10.1016/s0893-6080(96)00026-3 | DOI Listing |
Chem Mater
September 2024
Departamento de Química Física, Facultad de Química, Universidad de Sevilla, E-41012 Seville, Spain.
The exploration of large chemical spaces in search of new thermoelectric materials requires the integration of experiments, theory, simulations, and data science. The development of high-throughput strategies that combine DFT calculations with machine learning has emerged as a powerful approach to discovering new materials. However, experimental validation is crucial to confirm the accuracy of these workflows.
View Article and Find Full Text PDFPhys Rev E
July 2024
Department of Petroleum Engineering, Santa Catarina State University, 88336-275 Balneário Camboriú, SC, Brazil.
We propose alternative discretization schemes for improving the lattice Boltzmann pseudopotential model for incompressible multicomponent systems, with the purpose of modeling the flow of immiscible fluids with a large viscosity ratio. Compared to the original model of Shan-Chen [Phys. Rev.
View Article and Find Full Text PDFJ Sci Comput
July 2024
School of Mathematical Sciences, University of Nottingham, University Park, Nottingham, NG7 2RD UK.
We introduce an -version discontinuous Galerkin finite element method (DGFEM) for the linear Boltzmann transport problem. A key feature of this new method is that, while offering arbitrary order convergence rates, it may be implemented in an almost identical form to standard multigroup discrete ordinates methods, meaning that solutions can be computed efficiently with high accuracy and in parallel within existing software. This method provides a unified discretisation of the space, angle, and energy domains of the underlying integro-differential equation and naturally incorporates both local mesh and local polynomial degree variation within each of these computational domains.
View Article and Find Full Text PDFJ Phys Chem B
July 2024
ICMSEC, LSEC, NCMIS, Academy of Mathematics and Systems Science, Chinese Academy of Sciences, Beijing 100190, China.
So far, the existing Poisson-Boltzmann (PB) solvers that accurately take into account the interface jump conditions need a pregenerated body-fitted mesh (molecular surface mesh). However, qualified biomolecular surface meshing and its implementation into numerical methods remains a challenging and laborious issue, which practically hinders the progress of further developments and applications of a bunch of numerical methods in this field. In addition, even with a molecular surface mesh, it is only a low-order approximation of the original curved surface.
View Article and Find Full Text PDFPhys Rev E
January 2024
BNU-HKBU United International College, Zhuhai, Guangdong 519087, China.
In the present work, the force term is first derived in the spectral multiple-relaxation-time high-order lattice Boltzmann model. The force term in the Boltzmann equation is expanded in the Hermite temperature rescaled central moment space (RCM), instead of the Hermite raw moment space (RM). The contribution of nonequilibrium RCM moments beyond second order are neglected.
View Article and Find Full Text PDFEnter search terms and have AI summaries delivered each week - change queries or unsubscribe any time!