Towards artificial intelligence at scale in the chemical industry

In the Industry 4.0 era, the chemical industry is embracing broad adoption of artificial intelligence (AI) and machine learning (ML) methods. This article provides a holistic view of how the industry is transforming digitally towards AI at scale. First, a historical perspective on how the industry used AI to aid humans in better decision-making is shown. Then state-of-the-art AI research addressing industrial needs on reliability and safety, process optimization, supply chain, material discovery, and reaction engineering is highlighted. Finally, a vision of the plant of the future is illustrated with critical components of AI-ready culture, model life cycle management, and renewed role of humans in chemical manufacturing.     

An automated treatment planning strategy for highly noncoplanar radiotherapy arc trajectories

Radiation therapy is a technology-driven cancer treatment modality that has experienced significant advances over the last decades, due to multidisciplinary contributions that include engineering and computing. Recent technological developments allow the use of noncoplanar volumetric modulated arc therapy (VMAT), one of the most recent photon treatment techniques, in clinical practice. In this work, an automated noncoplanar arc trajectory optimization framework designed in two modular phases is presented. First, a noncoplanar beam angle optimization algorithm is used to obtain a set of noncoplanar irradiation directions. Then, anchored in these directions, an optimization strategy is proposed to compute an optimal arc trajectory. The computational experiments considered a pool of twelve difficult head-and-neck tumor cases. It was possible to observe that, for some of these cases, the optimized noncoplanar arc trajectories led to significant treatment planning quality improvements, when compared with coplanar VMAT treatment plans. Although these experiments were done in a research environment treatment planning software (matRad), the conclusions can be of interest for a clinical setting: automated procedures can simplify the current treatment workflow, produce high-quality treatment plans, making better use of human resources and allowing for unbiased comparisons between different treatment techniques.     

超高层劲性结构及大型机械设备立体协同施工技术

基于某超高层建筑群项目的主体施工阶段,对超高层劲性结构建筑群项目施工过程中可能遇到的问题,诸如大型机械立体协同、钢结构与钢筋连接节点优化、钢结构桁架层施工等重难点进行总结分析,并提出相应的解决方案以供探讨,可为同类型工程提供参考经验。     

基于孪生支持向量回归机的转炉炼钢终点预测

为了提高转炉炼钢的终点命中率，建立了一种新的转炉终点预测模型，实现了对转炉终点碳质量分数和温度的准确预测。模型采用K最近邻孪生支持向量机(KNNWTSVR)算法，将权重矩阵引入到目标函数中，并利用鲸群优化算法进行求解，提高了传统算法的性能；然后基于某炼钢厂260 t转炉的实际生产数据，建立了转炉炼钢终点预测模型。结果表明，预测模型的终点碳质量分数(误差±0.005%)和温度(误差±15 ℃)的终点单命中率分别为94%和88%，双命中率达到84%。与其他两种现有的建模方法相比，本模型取得了最优的预测效果。该方法满足转炉炼钢实际生产的需求，也可适用于钢铁冶金其他领域的数学建模。     

考虑区域协调性的城际列车开行方案优化

针对城际列车开行方案没有有效匹配城市轨道交通运能的问题，提出一种考虑区域协调性的城际列车开行方案优化方法。首先，以旅客出行费用最小和铁路运输效益最大为优化目标，考虑城际列车载客能力、出发地目的地（Original Destination，OD）客流需求和通过能力等约束；然后，在此基础上增加运能匹配度的限制，构建了考虑区域协调性的城际列车开行方案多目标非线性规划模型，并设计改进的模拟退火算法求解模型；最后，以广深城际铁路为例并进行两组对比分析。实验结果表明:考虑区域协调性的列车开行方案可以使旅客出行总广义费用降低约4.06%，铁路部门的效益提高约9.58%，旅客和铁路的系统总成本降低约23.27%；与遗传算法相比，改进的模拟退火算法在求解质量与收敛速度上均有较大提高。所提模型和算法可充分兼顾旅客和铁路双方利益，能够为城际列车开行方案优化问题提供有效解决方法。     

Revisiting the Parallel Strategy for DOACROSS Loops

Journal of Computer Science and Technology - DOACROSS loops are significant parts in many important scientific and engineering applications, which are generally exploited pipeline/wave-front...     

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。     

Binary whale optimization algorithm: a new metaheuristic approach for profit-based unit commitment problems in competitive electricity markets

This article presents a metaheuristic approach, the binary whale optimization algorithm (BWOA), to solve complex, constrained, non-convex, binary-nature profit-based unit commitment (PBUC) optimization problems of a price-taking generation company (GenCo) in the electricity market. To simulate the binary-nature PBUC problem, the continuous, real-value whale position/location is mapped into binary search space through various transfer functions. This article introduces three variants of BWOA using tangential hyperbolic, inverse tangent (arctan) and sigmoidal transfer functions. The effectiveness of the BWOA approaches is examined in test systems with different market mechanisms, i.e. an energy-only market, and energy and reserve market participation with different reserve payment methods. The simulation results are presented, discussed and compared with other existing approaches. The convergence characteristics, solution quality and consistency of the results across different BWOA variants are discussed. The superiority and statistical significance of the proposed approaches with respect to existing approaches is also presented.     

最优化算法与纯元素谱剥离相结合的能量色散X射线荧光谱解谱方法

在进行能量色散X射线荧光光谱(EDXRF)解谱时,如果给定样品的元素构成,采用纯元素谱图剥离的方式会更加合理,但由于每个元素的谱线都不止一条,如果仅仅针对主线对齐做剥离,会导致结果的严重失真,同时剥离次序对解谱结果有较大影响。介绍了一种最优化算法与纯元素谱剥离相结合的EDXRF解谱方法,该方法以多个纯元素谱的强度大小和峰位漂移道数作为变量构建残差方程,并用最优化计算的方法去调整,直至残差达到极小。实验采用强度顺序剥离、能量顺序剥离和最优化算法拟合3种方法分别对谱线重叠较为严重的La-Ce-Pr-Nd混合液样品的L系谱线进行了解析,结果表明最优化计算方法拟合的谱图与原始谱的残差 (1415.0)比另两种方法(166094.0和3192.7)大幅度缩小,拟合谱与原始谱更为吻合,并且方法在实现时对初值不敏感,解谱精度也不依赖于剥离次序。