In evolutionary multiobjective optimization, effectiveness refers to how an evolutionary algorithm performs in terms of converging its solutions into the Pareto front and also diversifying them over the front. This is not an easy job, particularly for optimization problems with more than three objectives, dubbed many-objective optimization problems. In such problems, classic Pareto-based algorithms fail to provide sufficient selection pressure towards the Pareto front, whilst recently developed algorithms, such as decomposition-based ones, may struggle to maintain a set of well-distributed solutions on certain problems (e.g., those with irregular Pareto fronts). Another issue in some many-objective optimizers is rapidly increasing computational requirement with the number of objectives, such as hypervolume-based algorithms and shift-based density estimation (SDE) methods. In this paper, we aim to address this problem and develop an effective and efficient evolutionary algorithm (E3A) that can handle various many-objective problems. In E3A, inspired by SDE, a novel population maintenance method is proposed to select high-quality solutions in the environmental selection procedure. We conduct extensive experiments and show that E3A performs better than 11 state-of-the-art many-objective evolutionary algorithms in quickly finding a set of well-converged and well-diversified solutions.
Large-scale multiobjective optimization problems (LSMOPs) refer to optimization problems with multiple conflicting optimization objectives and hundreds or even thousands of decision variables. A key point in solving LSMOPs is how to balance exploration and exploitation so that the algorithm can search in a huge decision space efficiently. Large-scale multiobjective evolutionary algorithms consider the balance between exploration and exploitation from the individual's perspective. However, these algorithms ignore the significance of tackling this issue from the perspective of decision variables, which makes the algorithm lack the ability to search from different dimensions and limits the performance of the algorithm. In this paper, we propose a large-scale multiobjective optimization algorithm based on the attention mechanism, called (LMOAM). The attention mechanism will assign a unique weight to each decision variable, and LMOAM will use this weight to strike a balance between exploration and exploitation from the decision variable level. Nine different sets of LSMOP benchmarks are conducted to verify the algorithm proposed in this paper, and the experimental results validate the effectiveness of our design.
In this study, a nondominated-solution-based multi-objective greedy method is proposed and applied to a sensor selection problem based on the multiple indices of the optimal design of experiments. The proposed method simultaneously considers multiple set functions and applies the idea of Pareto ranking for the selection of sets. Specifically, a new index is iteratively added to the nondominated solutions of sets, and the multi-objective functions are evaluated for new sets. The nondominated solutions are selected from the examined solutions, and the next sets are then considered. With this procedure, the multi-objective optimization of multiple set functions can be conducted with reasonable computational costs. This paper defines a new class of greedy algorithms which includes the proposed nondominated-solution-based multi-objective greedy algorithm and the group greedy algorithm, and the characteristics of those algorithms are theoretically discussed. Then, the proposed method is applied to the sensor selection problem and its performance is evaluated. The results of the test case show that the proposed method not only gives the Pareto-optimal front of the multi-objective optimization problem but also produces sets of sensors in terms of D-, A-, and E-optimality, that are superior to the sets selected by pure greedy methods that consider only a single objective function.
This paper presents a method to solve non-linear integer multiobjective optimization problems. First the problem is formulated using the Technique for Order Preference by Similarity to Ideal Solution (TOPSIS). Next, the Differential Evolution (DE) algorithm in its three versions (standard DE, DE best and DEGL) are used as optimizer. Since the solutions found by the DE algorithms are continuous, the Tabu Search (TS) algorithm is employed to find integer solutions during the optimization process. Experimental results show the effectiveness of the proposed method.
In this work, a new multiobjective optimization algorithm called multiobjective learner performance-based behavior algorithm is proposed. The proposed algorithm is based on the process of transferring students from high school to college. The proposed technique produces a set of non-dominated solutions. To judge the ability and efficacy of the proposed multiobjective algorithm, it is evaluated against a group of benchmarks and five real-world engineering optimization problems. Additionally, to evaluate the proposed technique quantitatively, several most widely used metrics are applied. Moreover, the results are confirmed statistically. The proposed work is then compared with three multiobjective algorithms, which are MOWCA, NSGA-II, and MODA. Similar to the proposed technique, the other algorithms in the literature were run against the benchmarks, and the real-world engineering problems utilized in the paper. The algorithms are compared with each other employing descriptive, tabular, and graphical demonstrations. The results proved the ability of the proposed work in providing a set of non-dominated solutions, and that the algorithm outperformed the other participated algorithms in most of the cases.
The ability to deal with systems parametric uncertainties is an essential issue for heavy self-driving vehicles in unconfined environments. In this sense, robust controllers prove to be efficient for autonomous navigation. However, uncertainty matrices for this class of systems are usually defined by algebraic methods which demand prior knowledge of the system dynamics. In this case, the control system designer depends on the quality of the uncertain model to obtain an optimal control performance. This work proposes a robust recursive controller designed via multiobjective optimization to overcome these shortcomings. Furthermore, a local search approach for multiobjective optimization problems is presented. The proposed method applies to any multiobjective evolutionary algorithm already established in the literature. The results presented show that this combination of model-based controller and machine learning improves the effectiveness of the system in terms of robustness, stability and smoothness.
In this paper, we consider unmanned aerial vehicles (UAVs) equipped with a visible light communication (VLC) access point and coordinated multipoint (CoMP) capability that allows users to connect to more than one UAV. UAVs can move in 3-dimensional (3D) at a constant acceleration, where a central server is responsible for synchronization and cooperation among UAVs. The effect of accelerated motion in UAV is necessary to be considered. Unlike most existing works, we examine the effects of variable speed on kinetics and radio resource allocations. For the proposed system model, we define two different time frames. In the frame, the acceleration of each UAV is specified, and in each slot, radio resources are allocated. Our goal is to formulate a multiobjective optimization problem where the total data rate is maximized, and the total communication power consumption is minimized simultaneously. To handle this multiobjective optimization, we first apply the scalarization method and then apply multi-agent deep deterministic policy gradient (MADDPG). We improve this solution method by adding two critic networks together with two-stage resources allocation. Simulation results indicate that the constant acceleration motion of UAVs shows about 8\% better results than conventional motion systems in terms of performance.
In this paper, we propose a new end-to-end methodology to optimize the energy performance as well as comfort and air quality in large buildings without any renovation work. We introduce a metamodel based on recurrent neural networks and trained to predict the behavior of a general class of buildings using a database sampled from a simulation program. This metamodel is then deployed in different frameworks and its parameters are calibrated using the specific data of two real buildings. Parameters are estimated by comparing the predictions of the metamodel with real data obtained from sensors using the CMA-ES algorithm, a derivative free optimization procedure. Then, energy consumptions are optimized while maintaining a target thermal comfort and air quality, using the NSGA-II multi-objective optimization procedure. The numerical experiments illustrate how this metamodel ensures a significant gain in energy efficiency, up to almost 10%, while being computationally much more appealing than numerical models and flexible enough to be adapted to several types of buildings.
The field of machine learning for drug discovery is witnessing an explosion of novel methods. These methods are often benchmarked on simple physicochemical properties such as solubility or general druglikeness, which can be readily computed. However, these properties are poor representatives of objective functions in drug design, mainly because they do not depend on the candidate's interaction with the target. By contrast, molecular docking is a widely successful method in drug discovery to estimate binding affinities. However, docking simulations require a significant amount of domain knowledge to set up correctly which hampers adoption. To this end, we present DOCKSTRING, a bundle for meaningful and robust comparison of ML models consisting of three components: (1) an open-source Python package for straightforward computation of docking scores; (2) an extensive dataset of docking scores and poses of more than 260K ligands for 58 medically-relevant targets; and (3) a set of pharmaceutically-relevant benchmark tasks including regression, virtual screening, and de novo design. The Python package implements a robust ligand and target preparation protocol that allows non-experts to obtain meaningful docking scores. Our dataset is the first to include docking poses, as well as the first of its size that is a full matrix, thus facilitating experiments in multiobjective optimization and transfer learning. Overall, our results indicate that docking scores are a more appropriate evaluation objective than simple physicochemical properties, yielding more realistic benchmark tasks and molecular candidates.
Many real-world optimization problems such as engineering design can be eventually modeled as the corresponding multiobjective optimization problems (MOPs) which must be solved to obtain approximate Pareto optimal fronts. Multiobjective evolutionary algorithm based on decomposition (MOEA/D) has been regarded as a significantly promising approach for solving MOPs. Recent studies have shown that MOEA/D with uniform weight vectors is well-suited to MOPs with regular Pareto optimal fronts, but its performance in terms of diversity usually deteriorates when solving MOPs with irregular Pareto optimal fronts. In this way, the solution set obtained by the algorithm can not provide more reasonable choices for decision makers. In order to efficiently overcome this drawback, we propose an improved MOEA/D algorithm by virtue of the well-known Pascoletti-Serafini scalarization method and a new strategy of multi-reference points. Specifically, this strategy consists of the setting and adaptation of reference points generated by the techniques of equidistant partition and projection. For performance assessment, the proposed algorithm is compared with existing four state-of-the-art multiobjective evolutionary algorithms on benchmark test problems with various types of Pareto optimal fronts. According to the experimental results, the proposed algorithm exhibits better diversity performance than that of the other compared algorithms. Finally, our algorithm is applied to two real-world MOPs in engineering optimization successfully.
Traceless Genetic Programming (TGP) is a Genetic Programming (GP) variant that is used in cases where the focus is rather the output of the program than the program itself. The main difference between TGP and other GP techniques is that TGP does not explicitly store the evolved computer programs. Two genetic operators are used in conjunction with TGP: crossover and insertion. In this paper, we shall focus on how to apply TGP for solving multi-objective optimization problems which are quite unusual for GP. Each TGP individual stores the output of a computer program (tree) representing a point in the search space. Numerical experiments show that TGP is able to solve very fast and very well the considered test problems.
One way to reduce the time of conducting optimization studies is to evaluate designs in parallel rather than just one-at-a-time. For expensive-to-evaluate black-boxes, batch versions of Bayesian optimization have been proposed. They work by building a surrogate model of the black-box to simultaneously select multiple designs via an infill criterion. Still, despite the increased availability of computing resources that enable large-scale parallelism, the strategies that work for selecting a few tens of parallel designs for evaluations become limiting due to the complexity of selecting more designs. It is even more crucial when the black-box is noisy, necessitating more evaluations as well as repeating experiments. Here we propose a scalable strategy that can keep up with massive batching natively, focused on the exploration/exploitation trade-off and a portfolio allocation. We compare the approach with related methods on noisy functions, for mono and multi-objective optimization tasks. These experiments show orders of magnitude speed improvements over existing methods with similar or better performance.
Evolutionary transfer multiobjective optimization (ETMO) has been becoming a hot research topic in the field of evolutionary computation, which is based on the fact that knowledge learning and transfer across the related optimization exercises can improve the efficiency of others. Besides, the potential for transfer optimization is deemed invaluable from the standpoint of human-like problem-solving capabilities where knowledge gather and reuse are instinctive. To promote the research on ETMO, benchmark problems are of great importance to ETMO algorithm analysis, which helps designers or practitioners to understand the merit and demerit better of ETMO algorithms. Therefore, a total number of 40 benchmark functions are proposed in this report, covering diverse types and properties in the case of knowledge transfer, such as various formulation models, various PS geometries and PF shapes, large-scale of variables, dynamically changed environment, and so on. All the benchmark functions have been implemented in JAVA code, which can be downloaded on the following website: https://github.com/songbai-liu/etmo.
This is a tutorial and survey paper on Karush-Kuhn-Tucker (KKT) conditions, first-order and second-order numerical optimization, and distributed optimization. After a brief review of history of optimization, we start with some preliminaries on properties of sets, norms, functions, and concepts of optimization. Then, we introduce the optimization problem, standard optimization problems (including linear programming, quadratic programming, and semidefinite programming), and convex problems. We also introduce some techniques such as eliminating inequality, equality, and set constraints, adding slack variables, and epigraph form. We introduce Lagrangian function, dual variables, KKT conditions (including primal feasibility, dual feasibility, weak and strong duality, complementary slackness, and stationarity condition), and solving optimization by method of Lagrange multipliers. Then, we cover first-order optimization including gradient descent, line-search, convergence of gradient methods, momentum, steepest descent, and backpropagation. Other first-order methods are explained, such as accelerated gradient method, stochastic gradient descent, mini-batch gradient descent, stochastic average gradient, stochastic variance reduced gradient, AdaGrad, RMSProp, and Adam optimizer, proximal methods (including proximal mapping, proximal point algorithm, and proximal gradient method), and constrained gradient methods (including projected gradient method, projection onto convex sets, and Frank-Wolfe method). We also cover non-smooth and $\ell_1$ optimization methods including lasso regularization, convex conjugate, Huber function, soft-thresholding, coordinate descent, and subgradient methods. Then, we explain second-order methods including Newton's method for unconstrained, equality constrained, and inequality constrained problems....
Despite the increasing interest in constrained multiobjective optimization in recent years, constrained multiobjective optimization problems (CMOPs) are still unsatisfactory understood and characterized. For this reason, the selection of appropriate CMOPs for benchmarking is difficult and lacks a formal background. We address this issue by extending landscape analysis to constrained multiobjective optimization. By employing four exploratory landscape analysis techniques, we propose 29 landscape features (of which 19 are novel) to characterize CMOPs. These landscape features are then used to compare eight frequently used artificial test suites against a recently proposed suite consisting of real-world problems based on physical models. The experimental results reveal that the artificial test problems fail to adequately represent some realistic characteristics, such as strong negative correlation between the objectives and constraints. Moreover, our findings show that all the studied artificial test suites have advantages and limitations, and that no "perfect" suite exists. Benchmark designers can use the obtained results to select or generate appropriate CMOP instances based on the characteristics they want to explore.
Subset selection is an important component in evolutionary multiobjective optimization (EMO) algorithms. Clustering, as a classic method to group similar data points together, has been used for subset selection in some fields. However, clustering-based methods have not been evaluated in the context of subset selection from solution sets obtained by EMO algorithms. In this paper, we first review some classic clustering algorithms. We also point out that another popular subset selection method, i.e., inverted generational distance (IGD)-based subset selection, can be viewed as clustering. Then, we perform a comprehensive experimental study to evaluate the performance of various clustering algorithms in different scenarios. Experimental results are analyzed in detail, and some suggestions about the use of clustering algorithms for subset selection are derived. Additionally, we demonstrate that decision maker's preference can be introduced to clustering-based subset selection.
We introduce a simple but general online learning framework in which a learner plays against an adversary in a vector-valued game that changes every round. Even though the learner's objective is not convex-concave (and so the minimax theorem does not apply), we give a simple algorithm that can compete with the setting in which the adversary must announce their action first, with optimally diminishing regret. We demonstrate the power of our framework by using it to (re)derive optimal bounds and efficient algorithms across a variety of domains, ranging from multicalibration to a large set of no regret algorithms, to a variant of Blackwell's approachability theorem for polytopes with fast convergence rates. As a new application, we show how to ``(multi)calibeat'' an arbitrary collection of forecasters -- achieving an exponentially improved dependence on the number of models we are competing against, compared to prior work.
Learning-based heuristics for solving combinatorial optimization problems has recently attracted much academic attention. While most of the existing works only consider the single objective problem with simple constraints, many real-world problems have the multiobjective perspective and contain a rich set of constraints. This paper proposes a multiobjective deep reinforcement learning with evolutionary learning algorithm for a typical complex problem called the multiobjective vehicle routing problem with time windows (MO-VRPTW). In the proposed algorithm, the decomposition strategy is applied to generate subproblems for a set of attention models. The comprehensive context information is introduced to further enhance the attention models. The evolutionary learning is also employed to fine-tune the parameters of the models. The experimental results on MO-VRPTW instances demonstrate the superiority of the proposed algorithm over other learning-based and iterative-based approaches.
Balancing convergence and diversity plays a key role in evolutionary multiobjective optimization (EMO). Most current EMO algorithms perform well on problems with two or three objectives, but encounter difficulties in their scalability to many-objective optimization. This paper proposes a grid- based evolutionary algorithm (GrEA) to solve many-objective optimization problems. Our aim is to exploit the potential of the grid-based approach to strengthen the selection pressure towards the optimal direction while maintaining an extensive and uniform distribution among solutions. To this end, two concepts—grid dominance and grid difference—are introduced to determine the mutual relationship of individuals in a grid environment. Three grid-based criteria, i.e., grid ranking, grid crowding distance, and grid coordinate point distance, are incorporated into the fitness of individuals to distinguish them in both the mating and environmental selection processes. Moreover, a fitness adjustment strategy is developed by adaptively punishing individuals based on the neighborhood and grid dominance relations in order to avoid partial overcrowding as well as guide the search towards different directions in the archive. Six state-of-the-art EMO algorithms are selected as the peer algorithms to validate GrEA. A series of extensive experiments is conducted on 52 instances of nine test problems taken from three test suites. The experimental results show the effectiveness and competitiveness of the proposed GrEA in balancing convergence and diversity. The solution set obtained by GrEA can achieve a better coverage of the Pareto front than that obtained by other algorithms on most of the tested problems. Additionally, a parametric study reveals interesting insights of the division parameter in a grid and also indicates useful values for problems with different characteristics.
Gridless methods show great superiority in line spectral estimation. These methods need to solve an atomic $l_0$ norm (i.e., the continuous analog of $l_0$ norm) minimization problem to estimate frequencies and model order. Since this problem is NP-hard to compute, relaxations of atomic $l_0$ norm, such as nuclear norm and reweighted atomic norm, have been employed for promoting sparsity. However, the relaxations give rise to a resolution limit, subsequently leading to biased model order and convergence error. To overcome the above shortcomings of relaxation, we propose a novel idea of simultaneously estimating the frequencies and model order by means of the atomic $l_0$ norm. To accomplish this idea, we build a multiobjective optimization model. The measurment error and the atomic $l_0$ norm are taken as the two optimization objectives. The proposed model directly exploits the model order via the atomic $l_0$ norm, thus breaking the resolution limit. We further design a variable-length evolutionary algorithm to solve the proposed model, which includes two innovations. One is a variable-length coding and search strategy. It flexibly codes and interactively searches diverse solutions with different model orders. These solutions act as steppingstones that help fully exploring the variable and open-ended frequency search space and provide extensive potentials towards the optima. Another innovation is a model order pruning mechanism, which heuristically prunes less contributive frequencies within the solutions, thus significantly enhancing convergence and diversity. Simulation results confirm the superiority of our approach in both frequency estimation and model order selection.