The paper proposes an approach for surrogate-assisted tuning of knowledge discovery algorithms. The approach is based on the prediction of both the quality and performance of the target algorithm. The prediction is furtherly used as objectives for the optimization and tuning of the algorithm. The approach is investigated using clinical pathways (CP) discovery problem resolved using the evolutionary-based clustering of electronic health records (EHR). Target algorithm and the proposed approach were applied to the discovery of CPs for Acute Coronary Syndrome patients in 3434 EHRs of patients treated in Almazov National Medical Research Center (Saint Petersburg, Russia). The study investigates the possible acquisition of interpretable clusters of typical CPs within a single disease. It shows how the approach could be used to improve complex data-driven analytical knowledge discovery algorithms. The study of the results includes the feature importance of the best surrogate model and discover how the parameters of input data influence the predictions.

One hope of using non-elitism in evolutionary computation is that it aids leaving local optima. We perform a rigorous runtime analysis of a basic non-elitist evolutionary algorithm (EA), the $(\mu,\lambda)$ EA, on the most basic benchmark function with a local optimum, the jump function. We prove that for all reasonable values of the parameters and the problem, the expected runtime of the $(\mu,\lambda)$ EA is, apart from lower order terms, at least as large as the expected runtime of its elitist counterpart, the $(\mu+\lambda)$~EA (for which we conduct the first runtime analysis to allow this comparison). Consequently, the ability of the $(\mu,\lambda)$ EA to leave local optima to inferior solutions does not lead to a runtime advantage. We complement this lower bound with an upper bound that, for broad ranges of the parameters, is identical to our lower bound apart from lower order terms. This is the first runtime result for a non-elitist algorithm on a multi-modal problem that is tight apart from lower order terms.

The N-Tuple Bandit Evolutionary Algorithm (NTBEA) has proven very effective in optimising algorithm parameters in Game AI. A potential weakness is the use of a simple average of all component Tuples in the model. This study investigates a refinement to the N-Tuple model used in NTBEA by weighting these component Tuples by their level of information and specificity of match. We introduce weighting functions to the model to obtain Weighted- NTBEA and test this on four benchmark functions and two game environments. These tests show that vanilla NTBEA is the most reliable and performant of the algorithms tested. Furthermore we show that given an iteration budget it is better to execute several independent NTBEA runs, and use part of the budget to find the best recommendation from these runs.

Generative Adversarial Networks (GANs) are an emerging form of indirect encoding. The GAN is trained to induce a latent space on training data, and a real-valued evolutionary algorithm can search that latent space. Such Latent Variable Evolution (LVE) has recently been applied to game levels. However, it is hard for objective scores to capture level features that are appealing to players. Therefore, this paper introduces a tool for interactive LVE of tile-based levels for games. The tool also allows for direct exploration of the latent dimensions, and allows users to play discovered levels. The tool works for a variety of GAN models trained for both Super Mario Bros. and The Legend of Zelda, and is easily generalizable to other games. A user study shows that both the evolution and latent space exploration features are appreciated, with a slight preference for direct exploration, but combining these features allows users to discover even better levels. User feedback also indicates how this system could eventually grow into a commercial design tool, with the addition of a few enhancements.

Bidding and acceptance strategies have a substantial impact on the outcome of negotiations in scenarios with linear additive and nonlinear utility functions. Over the years, it has become clear that there is no single best strategy for all negotiation settings, yet many fixed strategies are still being developed. We envision a shift in the strategy design question from: What is a good strategy?, towards: What could be a good strategy? For this purpose, we developed a method leveraging automated algorithm configuration to find the best strategies for a specific set of negotiation settings. By empowering automated negotiating agents using automated algorithm configuration, we obtain a flexible negotiation agent that can be configured automatically for a rich space of opponents and negotiation scenarios. To critically assess our approach, the agent was tested in an ANAC-like bilateral automated negotiation tournament setting against past competitors. We show that our automatically configured agent outperforms all other agents, with a 5.1% increase in negotiation payoff compared to the next-best agent. We note that without our agent in the tournament, the top-ranked agent wins by a margin of only 0.01%.

Evolution gave rise to human and animal intelligence here on Earth. We argue that the path to developing artificial human-like-intelligence will pass through mimicking the evolutionary process in a nature-like simulation. In Nature, there are two processes driving the development of the brain: evolution and learning. Evolution acts slowly, across generations, and amongst other things, it defines what agents learn by changing their internal reward function. Learning acts fast, across one's lifetime, and it quickly updates agents' policy to maximise pleasure and minimise pain. The reward function is slowly aligned with the fitness function by evolution, however, as agents evolve the environment and its fitness function also change, increasing the misalignment between reward and fitness. It is extremely computationally expensive to replicate these two processes in simulation. This work proposes Evolution via Evolutionary Reward (EvER) that allows learning to single-handedly drive the search for policies with increasingly evolutionary fitness by ensuring the alignment of the reward function with the fitness function. In this search, EvER makes use of the whole state-action trajectories that agents go through their lifetime. In contrast, current evolutionary algorithms discard this information and consequently limit their potential efficiency at tackling sequential decision problems. We test our algorithm in two simple bio-inspired environments and show its superiority at generating more capable agents at surviving and reproducing their genes when compared with a state-of-the-art evolutionary algorithm.

The Fighting Game AI Competition (FTGAIC) provides a challenging benchmark for 2-player video game AI. The challenge arises from the large action space, diverse styles of characters and abilities, and the real-time nature of the game. In this paper, we propose a novel algorithm that combines Rolling Horizon Evolution Algorithm (RHEA) with opponent model learning. The approach is readily applicable to any 2-player video game. In contrast to conventional RHEA, an opponent model is proposed and is optimized by supervised learning with cross-entropy and reinforcement learning with policy gradient and Q-learning respectively, based on history observations from opponent. The model is learned during the live gameplay. With the learned opponent model, the extended RHEA is able to make more realistic plans based on what the opponent is likely to do. This tends to lead to better results. We compared our approach directly with the bots from the FTGAIC 2018 competition, and found our method to significantly outperform all of them, for all three character. Furthermore, our proposed bot with the policy-gradient-based opponent model is the only one without using Monte-Carlo Tree Search (MCTS) among top five bots in the 2019 competition in which it achieved second place, while using much less domain knowledge than the winner.

This two-part review examines how automation has contributed to different aspects of discovery in the chemical sciences. In this first part, we describe a classification for discoveries of physical matter (molecules, materials, devices), processes, and models and how they are unified as search problems. We then introduce a set of questions and considerations relevant to assessing the extent of autonomy. Finally, we describe many case studies of discoveries accelerated by or resulting from computer assistance and automation from the domains of synthetic chemistry, drug discovery, inorganic chemistry, and materials science. These illustrate how rapid advancements in hardware automation and machine learning continue to transform the nature of experimentation and modelling. Part two reflects on these case studies and identifies a set of open challenges for the field.

Nearly all model algorithms used in machine learning use two different sets of parameters: the training parameters and the meta-parameters (hyperparameters). While the training parameters are learned during the training phase, the values of the hyperparameters have to be specified before learning starts. For a given dataset, we would like to find the optimal combination of hyperparameter values, in a reasonable amount of time. This is a challenging task because of its computational complexity. In previous work [11], we introduced the Weighted Random Search (WRS) method, a combination of Random Search (RS) and probabilistic greedy heuristic. In the current paper, we compare the WRS method with several state-of-the art hyperparameter optimization methods with respect to Convolutional Neural Network (CNN) hyperparameter optimization. The criterion is the classification accuracy achieved within the same number of tested combinations of hyperparameter values. According to our experiments, the WRS algorithm outperforms the other methods.

A novel bioinspired metaheuristic is proposed in this work, simulating how the Coronavirus spreads and infects healthy people. From an initial individual (the patient zero), the coronavirus infects new patients at known rates, creating new populations of infected people. Every individual can either die or infect and, afterwards, be sent to the recovered population. Relevant terms such as re-infection probability, super-spreading rate or traveling rate are introduced in the model in order to simulate as accurately as possible the coronavirus activity. The Coronavirus Optimization Algorithm has two major advantages compared to other similar strategies. First, the input parameters are already set according to the disease statistics, preventing researchers from initializing them with arbitrary values. Second, the approach has the ability of ending after several iterations, without setting this value either. Infected population initially grows at an exponential rate but after some iterations, the high number recovered and dead people starts decreasing the number of infected people in new iterations. As application case, it has been used to train a deep learning model for electricity load forecasting, showing quite remarkable results after few iterations.