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We propose a general and scalable global optimization framework directly operating on annotated graph data by introducing a Bayesian graph neural network to approximate the expensive-to-evaluate objectives. It prevents the cubical complexity of Gaussian processes and can scale linearly with the number of observations. Its parallelized variant makes it scalable. We provide strict theoretical support on its convergence. Intensive experiments conducted on both artificial and real-world problems, including molecular discovery and urban road network design, demonstrate the effectiveness of the proposed methods compared with the current state of the art. [ABSTRACT FROM AUTHOR]

Purpose – Due to the advantages of direct driven, high thrust density, and high efficiency, flux-switching linear motor (FSLM) is required for many applications, including aerospace and automotive. However, the vibration caused by detent force and difficulties in the assembly produced by the large normal force become the barriers that restrict its development. The paper aims to discuss these issues. Design/methodology/approach – In order to improve the electromagnetic performance of double-sided multi-tooth FSLM (DMTFSLM), a yokeless DMTFSLM with moving primary is proposed and compared with normal DMTFSLM. Moreover, with theoretical analysis, the selection principle of slot-pole number combination is obtained. DMTFSLMs with four slot/pole combinations, 6s/16p, 6s/17p, 6s/19p, 6s/20p, are analyzed based on finite element analysis model. Finally, several parameters of this yokeless DMTFSLM have been optimized to obtain the better performance. Findings – In yokeless DMTFSLM, it is found that the asymmetry of Back-EMF caused by the end-effect is eliminated, which leads to a better thrust force performance in comparison with the normal structure. The small attractive force between the secondary and the primary makes it easier for assembly and also can reduce the friction, which is more suitable for high-speed application. In addition, the best slot-pole combination rule is found through a simple theoretical analysis. Originality/value – The yokeless DMTFSLM has excellent electromagnetic performance, such as high thrust density, negligible normal force, and small force ripple. It is a strong candidate for high-precision device. [ABSTRACT FROM AUTHOR]

Within the linearized augmented plane-wave method for electronic structure calculations, a force expression was derived for such exchange–correlation energy functionals that lead to orbital-dependent potentials (e.g., or hybrid methods). The forces were implemented into the WIEN2k code and were tested on systems containing strongly correlated d and f electrons. The results show that the expression leads to accurate atomic forces. [Copyright &y& Elsevier]