An integrated dimensionality reduction and surrogate optimization approach for plant-wide chemical process operation

With liquefied natural gas becoming increasingly prevalent as a flexible source of energy, the design and optimization of industrial refrigeration cycles becomes even more important. In this article, we propose an integrated surrogate modeling and optimization framework to model and optimize the complex CryoMan Cascade refrigeration cycle. Dimensionality reduction techniques are used to reduce the large number of process decision variables which are subsequently supplied to an array of Gaussian processes, modeling both the process objective as well as feasibility constraints. Through iterative resampling of the rigorous model, this data-driven surrogate is continually refined and subsequently optimized. This approach was not only able to improve on the results of directly optimizing the process flow sheet but also located the set of optimal operating conditions in only 2 h as opposed to the original 3 weeks, facilitating its use in the operational optimization and enhanced process design of large-scale industrial chemical systems.     

Prediction of Flooding in Packed Liquid-Liquid and High-Pressure Extraction Columns Using a Gaussian Process

Reliable prediction of flooding conditions is needed for sizing and operating packed extraction columns. Due to the complex interplay of physicochemical properties, operational parameters and the packing-specific properties, it is challenging to develop accurate semi-empirical or rigorous models with a high validity range. State of the art models may therefore fail to predict flooding accurately. To overcome this problem, a data-driven model based on Gaussian processes is developed to predict flooding for packed liquid-liquid and high-pressure extraction columns. The optimized Gaussian process for the liquid-liquid extraction column results in an average absolute relative error (AARE) of 15.23 %, whereas the algorithm for the high-pressure extraction column results in an AARE of 13.68 %. Both algorithms can predict flooding curves for different packing geometries and chemical systems precisely.     

基于光谱尺度空间与管道滤波的红外目标检测

为了准确地从复杂干扰背景下检测出真实弱小目标，本文引入视觉显著性，设计了基于快速光谱尺度空间与动态管道滤波的红外目标检测算法。基于真实目标与背景内容之间的整体差异，引入快速光谱尺度空间与阈值分割技术，设计视觉显著性机制，对红外图像完成处理，输出全局显著性映射，以高效过滤干扰背景内容。考虑目标与背景的局部特征差异，构建自适应局部对比度增强机制，对粗检测结果实施处理，获取对应的局部显著性映射，改善视觉显著性区域内目标的对比度。引入高斯差分理论，通过估算每一帧红外图像中的目标像素直径，形成动态管道滤波，充分消除虚警，准确识别出弱小目标。多组实验数据显示：较已有的红外目标检测技术而言，在各种不同的复杂背景干扰下，所提算法呈现出更好的检测能力，拥有更理想的接收机工作特性ROC曲线。     

Comparative analysis of inbreeding parameters and runs of homozygosity islands in 2 Italian autochthonous cattle breeds mainly raised in the Parmigiano-Reggiano cheese production region

Reggiana and Modenese are autochthonous cattle breeds, reared in the North of Italy, that can be mainly distinguished for their standard coat color (Reggiana is red, whereas Modenese is white with some pale gray shades). Almost all milk produced by these breeds is transformed into 2 mono-breed branded Parmigiano-Reggiano cheeses, from which farmers receive the economic incomes needed for the sustainable conservation of these animal genetic resources. After the setting up of their herd books in 1960s, these breeds experienced a strong reduction in the population size that was subsequently reverted starting in the 1990s (Reggiana) or more recently (Modenese) reaching at present a total of about 2,800 and 500 registered cows, respectively. Due to the small population size of these breeds, inbreeding is a very important cause of concern for their conservation programs. Inbreeding is traditionally estimated using pedigree data, which are summarized in an inbreeding coefficient calculated at the individual level (F_PED). However, incompleteness of pedigree information and registration errors can affect the effectiveness of conservation strategies. High-throughput SNP genotyping platforms allow investigation of inbreeding using genome information that can overcome the limits of pedigree data. Several approaches have been proposed to estimate genomic inbreeding, with the use of runs of homozygosity (ROH) considered to be the more appropriate. In this study, several pedigree and genomic inbreeding parameters, calculated using the whole herd book populations or considering genotyping information (GeneSeek GGP Bovine 150K) from 1,684 Reggiana cattle and 323 Modenese cattle, were compared. Average inbreeding values per year were used to calculate effective population size. Reggiana breed had generally lower genomic inbreeding values than Modenese breed. The low correlation between pedigree-based and genomic-based parameters (ranging from 0.187 to 0.195 and 0.319 to 0.323 in the Reggiana and Modenese breeds, respectively) reflected the common problems of local populations in which pedigree records are not complete. The high proportion of short ROH over the total number of ROH indicates no major recent inbreeding events in both breeds. ROH islands spread over the genome of the 2 breeds (15 in Reggiana and 14 in Modenese) identified several signatures of selection. Some of these included genes affecting milk production traits, stature, body conformation traits (with a main ROH island in both breeds on BTA6 containing the ABCG2, NCAPG, and LCORL genes) and coat color (on BTA13 in Modenese containing the ASIP gene). In conclusion, this work provides an extensive comparative analysis of pedigree and genomic inbreeding parameters and relevant genomic information that will be useful in the conservation strategies of these 2 iconic local cattle breeds.     

Techno-economic analysis of hydrogen energy for renewable energy power smoothing

With the increasing proportion of renewable energy (mainly wind power and photovoltaic) connected to the grid, the fluctuation of renewable energy power brings great challenges to the safe and reliable operation of power grid. As a clean, low-carbon secondary energy, hydrogen energy is applied in renewable energy (mainly wind power and photovoltaic) grid-connected power smoothing, which opens up a new way of coupling hydrogen storage energy with renewable energy. This paper focuses on the optimization of capacity of electrolyzers and fuel cells and the analysis of system economy in the process of power output smoothing of wind/photovoltaic coupled hydrogen energy grid-connected system. Based on the complementary characteristics of particle swarm optimization (PSO) and chemical reaction optimization algorithm (CROA), a particle swarm optimization-chemical reaction optimization algorithm (PSO-CROA) are proposed. Aiming at maximizing system profit, the capacity of electrolyzers and fuel cells are constrained by wind power fluctuation, and considering environmental benefits, government subsidies and time value of funds, the objective function and its constraints are established. According to the simulation analysis, by comparing the calculated results with PSO and CROA, it shows that PSO-CROA effectively evaluates the economy of the system, and optimizes the optimal capacity of the electrolyzers and fuel cells. The conclusion of this paper is of great significance for the application of hydrogen energy storage in the evaluation of power smoothness and economy of renewable energy grid connection and the calculation of economic allocation of hydrogen energy storage capacity.     

A three-dimensional surface measurement system implemented with Gaussian process based adaptive sampling

Self-adaptive surface measurements that can reduce data redundancy and improve time efficiency are in high demand in many fields of science and technology. For this purpose, a system implemented with Gaussian process (GP) adaptive sampling is developed. The non-parametric GP model is applied to reconstruct the topography and guide the subsequent sampling position, which is determined from the inference uncertainty estimation. A criterion is proposed to terminate the GP adaptive measurement automatically without any prior model or data of the topography. Experiments on typical surfaces validate the intelligence, adaptability, and high accuracy of the GP method along with the stabilization of the automatic iteration termination. Compared with traditional raster sampling, data redundancy is reduced and the time efficiency is improved without sacrificing the surface reconstruction accuracy. The proposed method can be implemented in other systems with similar measurement principles, thus benefitting surface characterizations.     

基于种群划分与变异策略的粒子群优化算法

粒子群算法因其形式比较简洁，参数设置灵活，操作简便易行，并且能够快速收敛，从而引起广泛关注。但是传统的粒子群算法也有缺陷：收敛速度慢以及容易陷入局部最优等。针对这些问题，本文借鉴小生境的方法，在进化初始阶段，对种群进行划分，将初始种群分为子种群，对不同的子种群进行不同的变异策略；在进化过程中，针对不同的子种群，设置不同的惯性权重因子ω，用来增强全局搜索能力与局部搜索能力。实验结果表明，本文提出的算法较传统的粒子群算法具有较快的收敛性以及找寻的全局最优解更接近真实解集，收敛精度比较高。     

Elliptical distribution-based weight-determining method for ordered weighted averaging operators

The ordered weighted averaging (OWA) operators play a crucial role in aggregating multiple criteria evaluations into an overall assessment supporting the decision makers’ choice. One key point steps is to determine the associated weights. In this paper, we first briefly review some main methods for determining the weights by using distribution functions. Then we propose a new approach for determining OWA weights by using the regular increasing monotone quantifier. Motivated by the idea of normal distribution-based method to determine the OWA weights, we develop a method based on elliptical distributions for determining the OWA weights, and some of its desirable properties have been investigated.     

A cell-based smoothed radial point interpolation method with virtual nodes for three-dimensional mid-frequency acoustic problems

It is well known that the finite element method (FEM) encounters dispersion errors in coping with mid-frequency acoustic problems due to its “overly stiff” nature. By introducing the generalized gradient smoothing technique and the idea of condensed shape functions with virtual nodes, a cell-based smoothed radial point interpolation method is proposed to solve the Helmholtz equation for the purpose of reducing dispersion errors. With the properly selected virtual nodes, the proposed method can provide a close-to-exact stiffness of continuum, leading to a conspicuous decrease in dispersion errors and a significant improvement in accuracy. Numerical examples are examined using the present method by comparing with both the traditional FEM using four-node tetrahedral elements (FEM-T4) and the FEM model using eight-node hexahedral elements with modified integration rules (MIR-H8). The present cell-based smoothed radial point interpolation method has been demonstrated to possess a number of superiorities, including the automatically generated tetrahedral background mesh, high computational efficiency, and insensitivity to mesh distortion, which make the method a good potential for practical analysis of acoustic problems.     

Evolution of Local Structural Ordering and Chemical Distribution upon Delithiation of a Rock Salt–Structured Li1.3Ta0.3Mn0.4O2 Cathode

Lithium‐rich disordered rock‐salt oxides have attracted great interest owing to their promising performance as Li‐ion battery cathodes. While experimental and theoretical efforts are critical in advancing this class of materials, a fundamental understanding of key property changes upon Li extraction is largely missing. In the present study, single‐crystal synthesis of a new disordered rock‐salt cathode material, Li_1.3Ta_0.3Mn_0.4O₂ (LTMO), and its use as a model compound to investigate Li concentration–driven evolution of local cationic ordering, charge compensation, and chemical distribution are reported. Through the combined use of 2D and 3D X‐ray nanotomography, it is shown that Li removal accompanied by oxygen oxidation is correlated with the development of morphological defects such as particle cracking. Chemical heterogeneity, quantified by subparticle level distribution of Mn valence state, is minimal during Mn redox, which drastically increases upon the formation of cracks during oxygen redox. Density functional theory and bond valence sum mismatch calculations reveal the presence of local short‐range ordering in the pristine oxide, which gradually disappears along with the extraction of Li. The study suggests that with cycling the transformation into true cation–disordered state can be expected, which likely impacts the voltage profile and obtainable energy density of the oxide cathodes.