When it comes to solving optimization problems with evolutionary algorithms (EAs) in a reliable and scalable manner, detecting and exploiting linkage information, that is, dependencies between variables, can be key. In this paper, we present the latest version of, and propose substantial enhancements to, the gene-pool optimal mixing evolutionary algorithm (GOMEA): an EA explicitly designed to estimate and exploit linkage information. We begin by performing a large-scale search over several GOMEA design choices to understand what matters most and obtain a generally best-performing version of the algorithm. Next, we introduce a novel version of GOMEA, called CGOMEA, where linkage-based variation is further improved by filtering solution mating based on conditional dependencies. We compare our latest version of GOMEA, the newly introduced CGOMEA, and another contending linkage-aware EA, DSMGA-II, in an extensive experimental evaluation, involving a benchmark set of nine black-box problems that can be solved efficiently only if their inherent dependency structure is unveiled and exploited. Finally, in an attempt to make EAs more usable and resilient to parameter choices, we investigate the performance of different automatic population management schemes for GOMEA and CGOMEA, de facto making the EAs parameterless. Our results show that GOMEA and CGOMEA significantly outperform the original GOMEA and DSMGA-II on most problems, setting a new state of the art for the field.

In this work, we show that simultaneously training and mixing neural networks is a promising way to conduct Neural Architecture Search (NAS). For hyperparameter optimization, reusing the partially trained weights allows for efficient search, as was previously demonstrated by the Population Based Training (PBT) algorithm. We propose PBT-NAS, an adaptation of PBT to NAS where architectures are improved during training by replacing poorly-performing networks in a population with the result of mixing well-performing ones and inheriting the weights using the shrink-perturb technique. After PBT-NAS terminates, the created networks can be directly used without retraining. PBT-NAS is highly parallelizable and effective: on challenging tasks (image generation and reinforcement learning) PBT-NAS achieves superior performance compared to baselines (random search and mutation-based PBT).

Population Based Training (PBT) is an efficient hyperparameter optimization algorithm. PBT is a single-objective algorithm, but many real-world hyperparameter optimization problems involve two or more conflicting objectives. In this work, we therefore introduce a multi-objective version of PBT, MO-PBT. Our experiments on diverse multi-objective hyperparameter optimization problems (Precision/Recall, Accuracy/Fairness, Accuracy/Adversarial Robustness) show that MO-PBT outperforms random search, single-objective PBT, and the state-of-the-art multi-objective hyperparameter optimization algorithm MO-ASHA.

We propose a novel surrogate-assisted Evolutionary Algorithm for solving expensive combinatorial optimization problems. We integrate a surrogate model, which is used for fitness value estimation, into a state-of-the-art P3-like variant of the Gene-Pool Optimal Mixing Algorithm (GOMEA) and adapt the resulting algorithm for solving non-binary combinatorial problems. We test the proposed algorithm on an ensemble learning problem. Ensembling several models is a common Machine Learning technique to achieve better performance. We consider ensembles of several models trained on disjoint subsets of a dataset. Finding the best dataset partitioning is naturally a combinatorial non-binary optimization problem. Fitness function evaluations can be extremely expensive if complex models, such as Deep Neural Networks, are used as learners in an ensemble. Therefore, the number of fitness function evaluations is typically limited, necessitating expensive optimization techniques. In our experiments we use five classification datasets from the OpenML-CC18 benchmark and Support-vector Machines as learners in an ensemble. The proposed algorithm demonstrates better performance than alternative approaches, including Bayesian optimization algorithms. It manages to find better solutions using just several thousand fitness function evaluations for an ensemble learning problem with up to 500 variables.

Surrogate-assisted evolutionary algorithms have the potential to be of high value for real-world optimization problems when fitness evaluations are expensive, limiting the number of evaluations that can be performed. In this article, we consider the domain of pseudo-Boolean functions in a black-box setting. Moreover, instead of using a surrogate model as an approximation of a fitness function, we propose to precisely learn the coefficients of the Walsh decomposition of a fitness function and use the Walsh decomposition as a surrogate. If the coefficients are learned correctly, then the Walsh decomposition values perfectly match with the fitness function, and, thus, the optimal solution to the problem can be found by optimizing the surrogate without any additional evaluations of the original fitness function. It is known that the Walsh coefficients can be efficiently learned for pseudo-Boolean functions with k -bounded epistasis and known problem structure. We propose to learn dependencies between variables first and, therefore, substantially reduce the number of Walsh coefficients to be calculated. After the accurate Walsh decomposition is obtained, the surrogate model is optimized using GOMEA, which is considered to be a state-of-the-art binary optimization algorithm. We compare the proposed approach with standard GOMEA and two other Walsh decomposition-based algorithms. The benchmark functions in the experiments are well-known trap functions, NK-landscapes, MaxCut, and MAX3SAT problems. The experimental results demonstrate that the proposed approach is scalable at the supposed complexity of O (ℓ log ℓ) function evaluations when the number of subfunctions is O (ℓ) and all subfunctions are k -bounded, outperforming all considered algorithms.

We introduce a novel surrogate-assisted Genetic Algorithm (GA) for expensive optimization of problems with discrete categorical variables. Specifically, we leverage the strengths of the Gene-pool Optimal Mixing Evolutionary Algorithm (GOMEA), a state-of-the-art GA, and, for the first time, propose to use a convolutional neural network (CNN) as a surrogate model. We propose to train the model on pairwise fitness differences to decrease the number of evaluated solutions that is required to achieve adequate surrogate model training. In providing a proof of principle, we consider relatively standard CNNs, and demonstrate that their capacity is already sufficient to accurately learn fitness landscapes of various well-known benchmark functions. The proposed CS-GOMEA is compared with GOMEA and the widely-used Bayesian-optimization-based expensive optimization frameworks SMAC and Hyperopt, in terms of the number of evaluations that is required to achieve the optimum. In our experiments on binary problems with dimensionalities up to400 variables, CS-GOMEA always found the optimum, whereas SMAC and Hyperopt failed for problem sizes over 16 variables. Moreover, the number of evaluated solutions required by CS-GOMEA to find the optimum was found to scale much better than GOMEA.