Moment quantization of inhomogeneous spin ensembles

Robust excitation of a large spin ensemble is a long-standing problem in the field of quantum information science and engineering and presents a grand challenge in quantum control. A formal theoretical treatment of this task is to formulate it as an ensemble control problem defined on an infinite-dimensional space. In this paper, we present a distinct perspective to understand and control quantum ensemble systems. Instead of directly analyzing spin ensemble systems defined on a Hilbert space, we transform them to a space where the systems have reduced dimensions with distinctive network structures through the introduction of moment representations. In particular, we illustrate the idea of moment quantization for a spin ensemble and illuminate how this technique leads to a dynamically equivalent control system of moments. This equivalence enables the control of spin ensembles through the control of their moment systems, which in turn creates a new control analysis and design paradigm for quantum ensemble systems based on the use of truncated moment systems.     

面向智慧小镇建设的机房电气管线多目标优化布置方法

常规的管线布置优化方法难以在优化过程中得到全局搜索的最优解,导致安全性能无法得到保障,因此面向智慧小镇建设设计一个新的机房电气管线多目标优化布置方法。设置电气管线约束条件,将电压均值、单位时间内电流量、电气管线损耗恢复能力作为目标函数。优化管线布置全局搜索,使用交叉操作的方式不断得到更优解。建立多目标优化电气管线模型,得到电气管线多目标优化的数学模型。通过实验数据可知,该管线布置方法在算法测试中优于常规的3种算法,且在安全性能的检测中只与标准最优值相差6.22×10⁴,3个常规方法与标准最优值的差距为6.813×10⁴、7.6×10⁴、8.32×10⁴,因此可知该多目标优化的管线布置方法可以得到更优解。     

Tabular data: Deep learning is not all you need

A key element in solving real-life data science problems is selecting the types of models to use. Tree ensemble models (such as XGBoost) are usually recommended for classification and regression problems with tabular data. However, several deep learning models for tabular data have recently been proposed, claiming to outperform XGBoost for some use cases. This paper explores whether these deep models should be a recommended option for tabular data by rigorously comparing the new deep models to XGBoost on various datasets. In addition to systematically comparing their performance, we consider the tuning and computation they require. Our study shows that XGBoost outperforms these deep models across the datasets, including the datasets used in the papers that proposed the deep models. We also demonstrate that XGBoost requires much less tuning. On the positive side, we show that an ensemble of deep models and XGBoost performs better on these datasets than XGBoost alone.     

Transition from random packing to stable state in a continuously avalanching granular flow

We investigate the transition evolution from the initial state with the random packing of the particles to the stable state in which successive avalanches exhibit consistent characteristics under the slumping regime. It is found that there exist three distinct stages in the transition evolution, considering the change of the volume fraction. The coordination number is almost unchanged during the transition evolution, which indicates the particle contact form is consistent in the three stages. The pause phenomena are discovered in some avalanches, and the probability of pause occurrence increases continuously in the three consecutive stages. We also explore the distribution of particles in the passive layer at the stable state. The particles in the middle region of the passive layer have the closest packing status, and the deeper the region is located, the later it reaches the stable state.     

Density functional theory study of the hydrogen evolution reaction in haeckelite boron nitride quantum dots

To satisfy arising energy needs and to handle the forthcoming worldwide climate transformation, the major research attention has been drawn to environmentally friendly, renewable and abundant energy resources. Hydrogen plays an ideal and significant role is such resources, due to its non-carbon based energy and production through clean energy. In this work, we have explored catalytic activity of a newly predicted haeckelite boron nitride quantum dot (haeck-BNQD), constructed from the infinite BN sheet, for its utilization in hydrogen production. Density functional theory calculations are employed to investigate geometry optimization, electronic and adsorption mechanism of haeck-BNQD using Gaussian16 package, employing the hybrid B3LYP and wB97XD functionals, along with 6–31G(d,p) basis set. A number of physical quantities such as HOMO/LUMO energies, density of states, hydrogen atom adsorption energies, Mulliken populations, Gibbs free energy, work functions, overpotentials, etc., have been computed and analysed in the context of the catalytic performance of haeck-BNQD for the hydrogen-evolution reaction (HER). Based on our calculations, we predict that the best catalytic performance will be obtained for H adsorption on top of the squares or the octagons of haeck-BNQD. We hope that our prediction of most active catalytic sites on haeck-BNQD for HER will be put to test in future experiments.     

Robust optimal operation of continuous catalytic reforming process under feedstock uncertainty

The continuous catalytic regenerative (CCR) reforming process is one of the most significant sources of hydrogen production in the petroleum refining process. However, the fluctuations in feedstock composition and flow rate could significantly affect both product distribution and energy consumption. In this study, a robust deviation criterion based multi-objective optimization approach is proposed to perform the optimal operation of CCR reformer under feedstock uncertainty, with simultaneous maximization of product yields and minimization of energy consumption. Minimax approach is adopted to handle these uncertain objectives, and the Latin hypercube sampling method is then used to calculate these robust deviation criteria. Multi-objective surrogate-based optimization methods are next introduced to effectively solve the robust operational problem with high computational cost. The level diagram method is finally utilized to assist in multi-criteria decision-making. Two robust operational optimization problems with different objectives are solved to demonstrate the effectiveness of the proposed method for robust optimal operation of the CCR reforming process under feedstock uncertainty.     

Development of high pressure membraneless alkaline electrolyzer

A technology for cyclic generation of hydrogen and oxygen using electrodes made of variable valency material that does not need the use of separating ion-exchange membranes is presented. The technological solution enables to fabricate electrolyzers for uninterrupted producing high-pressure hydrogen with reduced energy intensity of the production. The total work for compressing 1 m³ of hydrogen and 0.5 m³ of oxygen has been estimated. Results of investigation of influence of discrete supply of DC current to the electrolysis cell, in order to improve the processes of gas evolution and to simplify the power systems of the electrolysis plant, have been considered. There is also considered an electrolysis installation equipped with a thermosorption compressor in which LaNi₅ is used as a hydride-forming compound. The comparative characteristics of the developed electrolyzer and the currently used hydrogen generators are given.     

梁结构振动支承约束反力控制

支承或连接构件对梁结构的动力学性能有至关重要影响,必须保证其在振动过程中不发生破坏或者失效。通过合理设计和布局附加弹性支承可以实现对这些重要连接构件所承受约束反力的控制。应用微分变换法推导含附加支承的梁结构支承约束反力及其对于附加支承位置和刚度的灵敏度表达式,并通过优化设计附加支承位置和刚度实现具有弹性约束端的简支梁结构各支承约束反力的平衡,可提高结构的动力学性能。