A survey on handling computationally expensive multiobjective optimization problems with evolutionary algorithms

This is the author accepted manuscript. The final version is available from Springer Verlag via the DOI in this record.Evolutionary algorithms are widely used for solving multiobjective optimization problems but are often criticized because of a large number of function evaluations needed. Approximations, especially function approximations, also referred to as surrogates or metamodels are commonly used in the literature to reduce the computation time. This paper presents a survey of 45 different recent algorithms proposed in the literature between 2008 and 2016 to handle computationally expensive multiobjective optimization problems. Several algorithms are discussed based on what kind of an approximation such as problem, function or fitness approximation they use. Most emphasis is given to function approximation-based algorithms. We also compare these algorithms based on different criteria such as metamodeling technique and evolutionary algorithm used, type and dimensions of the problem solved, handling constraints, training time and the type of evolution control. Furthermore, we identify and discuss some promising elements and major issues among algorithms in the literature related to using an approximation and numerical settings used. In addition, we discuss selecting an algorithm to solve a given computationally expensive multiobjective optimization problem based on the dimensions in both objective and decision spaces and the computation budget available.The research of Tinkle Chugh was funded by the COMAS Doctoral Program (at the University of Jyväskylä) and FiDiPro Project DeCoMo (funded by Tekes, the Finnish Funding Agency for Innovation), and the research of Dr. Karthik Sindhya was funded by SIMPRO project funded by Tekes as well as DeCoMo

Designing new models and algorithms to improve order picking operations

Order picking has been identified as a crucial factor for the competitiveness of a supply chain because inadequate order picking performance causes customer dissatisfaction and high costs. This dissertation aims at designing new models and algorithms to improve order picking operations and to support managerial decisions on facing current challenges in order picking. First, we study the standard order batching problem (OBP) to optimize the batching of customer orders with the objective of minimizing the total length of order picking tours. We present a mathematical model formulation of the problem and develop a hybrid solution approach of an adaptive large neighborhood search and a tabu search method. In numerical studies, we conduct an extensive comparison of our method to all previously published OBP methods that used standard benchmark sets to investigate their performance. Our hybrid outperforms all comparison methods with respect to average solution quality and runtime. Compared to the state-of-the-art, the hybrid shows the clearest advantages on the larger instances of the existing benchmark sets, which assume a larger number of customer orders and larger capacities of the picking device. Finally, our method is able to solve newly generated large-scale instances with up to 600 customer orders and six items per customer order with reasonable runtimes and convincing scaling behavior and robustness. Next, we address a problem based on a practical case, which is inspired by a warehouse of a German manufacturer of household products. In this warehouse, heavy items are not allowed to be placed on top of light items during picking to prevent damage to the light items. Currently, the case company determines the sequence for retrieving the items from their storage locations by applying a simple S-shape strategy that neglects this precedence constraint. As a result, order pickers place the collected items next to each other in plastic boxes and sort the items respecting the precedence constraint at the end of the order picking process. To avoid this sorting, we propose a picker routing strategy that incorporates the precedence constraint by picking heavy items before light items, and we develop an exact solution method to evaluate the strategy. We assess the performance of our strategy on a dataset provided to us by the manufacturer. We compare our strategy to the strategy used in the warehouse of the case company, and to an exact picker routing approach that does not consider the given precedence constraint. The results clearly demonstrate the convincing performance of our strategy even if we compare our strategy to the exact solution method that neglects the precedence constraint. Last, we investigate a new order picking problem, in which human order pickers of the traditional picker-to-parts setup are supported by automated guided vehicles (AGVs). We introduce two mathematical model formulations of the problem, and we develop a heuristic to solve the NP-hard problem. In numerical studies, we assess the solution quality of the heuristic in comparison to optimal solutions. The results demonstrate the ability of the heuristic in finding high-quality solutions within a negligible computation time. We conduct several computational experiments to investigate the effect of different numbers of AGVs and different traveling and walking speed ratios between AGVs and order pickers on the average total tardiness. The results of our experiments indicate that by adding (or removing) AGVs or by increasing (or decreasing) the AGV speed to adapt to different workloads, a large number of customer orders can be completed until the respective due date

A Random Forest Assisted Evolutionary Algorithm for Data-Driven Constrained Multi-Objective Combinatorial Optimization of Trauma Systems for publication

Many real-world optimization problems can be solved by using the data-driven approach only, simply because no analytic objective functions are available for evaluating candidate solutions. In this work, we address a class of expensive datadriven constrained multi-objective combinatorial optimization problems, where the objectives and constraints can be calculated only on the basis of large amount of data. To solve this class of problems, we propose to use random forests and radial basis function networks as surrogates to approximate both objective and constraint functions. In addition, logistic regression models are introduced to rectify the surrogate-assisted fitness evaluations and a stochastic ranking selection is adopted to further reduce the influences of the approximated constraint functions. Three variants of the proposed algorithm are empirically evaluated on multi-objective knapsack benchmark problems and two realworld trauma system design problems. Experimental results demonstrate that the variant using random forest models as the surrogates are effective and efficient in solving data-driven constrained multi-objective combinatorial optimization problems

Ab Initio Protein Structure Prediction Using Evolutionary Approach: A Survey

Protein Structure Prediction (PSP) problem is to determine the three-dimensional structure of a protein only from its primary structure. Misfolding of a protein causes human diseases. Thus, the knowledge of the structure and functionality of proteins, combined with the prediction of their structure is a complex problem and a challenge for the area of computational biology. The metaheuristic optimization algorithms are naturally applicable to support in solving NP-hard problems.These algorithms are bio-inspired, since they were designed based on procedures found in nature, such as the successful evolutionary behavior of natural systems. In this paper, we present a survey on methods to approach the \textit{ab initio} protein structure prediction based on evolutionary computing algorithms, considering both single and multi-objective optimization. An overview of the works is presented, with some details about which characteristics of the problem are considered, as well as specific points of the algorithms used. A comparison between the approaches is presented and some directions of the research field are pointed out

進化計算の医学・工学への応用に関する研究

富山大学・富理工博甲第216号・雷振宇・2023/3/23富山大学202

The Impact of Dynamics in Protein Assembly

Predicting the assembly of multiple proteins into specific complexes is critical to understanding their biological function in an organism, and thus the design of drugs to address their malfunction. Consequently, a significant body of research and development focuses on methods for elucidating protein quaternary structure. In silico techniques are used to propose models that decode experimental data, and independently as a structure prediction tool. These computational methods often consider proteins as rigid structures, yet proteins are inherently flexible molecules, with both local side-chain motion and larger conformational dynamics governing their behaviour. This treatment is particularly problematic for any protein docking engine, where even a simple rearrangement of the side-chain and backbone atoms at the interface of binding partners complicates the successful determination of the correct docked pose. Herein, we present a means of representing protein surface, electrostatics and local dynamics within a single volumetric descriptor, before applying it to a series of physical and biophysical problems to validate it as representative of a protein. We leverage this representation in a protein-protein docking context and demonstrate that its application bypasses the need to compensate for, and predict, specific side-chain packing at the interface of binding partners for both water-soluble and lipid-soluble protein complexes. We find little detriment in the quality of returned predictions with increased flexibility, placing our protein docking approach as highly competitive versus comparative methods. We then explore the role of larger, conformational dynamics in protein quaternary structure prediction, by exploiting large-scale Molecular Dynamics simulations of the SARS-CoV-2 spike glycoprotein to elucidate possible high-order spike-ACE2 oligomeric states. Our results indicate a possible novel path to therapeutics following the COVID-19 pandemic. Overall, we find that the structure of a protein alone is inadequate in understanding its function through its possible binding modes. Therefore, we must also consider the impact of dynamics in protein assembly

Applications

Volume 3 describes how resource-aware machine learning methods and techniques are used to successfully solve real-world problems. The book provides numerous specific application examples: in health and medicine for risk modelling, diagnosis, and treatment selection for diseases in electronics, steel production and milling for quality control during manufacturing processes in traffic, logistics for smart cities and for mobile communications

Applications

Volume 3 describes how resource-aware machine learning methods and techniques are used to successfully solve real-world problems. The book provides numerous specific application examples: in health and medicine for risk modelling, diagnosis, and treatment selection for diseases in electronics, steel production and milling for quality control during manufacturing processes in traffic, logistics for smart cities and for mobile communications

Energy. A continuing bibliography with indexes, issue 18

This issue of Energy lists 1038 reports, journal articles, and other documents announced between April 1, 1978 and June 30, 1978 in Scientific and Technical Aerospace Reports (STAR) or in International Aerospace Abstracts (IAA). The coverage includes regional, national and international energy systems; research and development on fuels and other sources of energy; energy conversion, transport, transmission, distribution and storage, with special emphasis on use of hydrogen and of solar energy. Also included are methods of locating or using new energy resources. Of special interest is energy for heating, lighting, for powering aircraft, surface vehicles, or other machinery