Quantum Artificial Intelligence (QAI) is the intersection of quantum computing and AI, a technological synergy with expected significant benefits for both. In this paper, we provide a brief overview of what has been achieved in QAI so far and point to some open questions for future research. In particular, we summarize some major key findings on the feasability and the potential of using quantum computing for solving computationally hard problems in various subfields of AI, and vice versa, the leveraging of AI methods for building and operating quantum computing devices.

Fairness in clustering has been considered extensively in the past; however, the trade-off between the two objectives -- e.g., can we sacrifice just a little in the quality of the clustering to significantly increase fairness, or vice-versa? -- has rarely been addressed. We introduce novel algorithms for tracing the complete trade-off curve, or Pareto front, between quality and fairness in clustering problems; that is, computing all clusterings that are not dominated in both objectives by other clusterings. Unlike previous work that deals with specific objectives for quality and fairness, we deal with all objectives for fairness and quality in two general classes encompassing most of the special cases addressed in previous work. Our algorithm must take exponential time in the worst case as the Pareto front itself can be exponential. Even when the Pareto front is polynomial, our algorithm may take exponential time, and we prove that this is inevitable unless P = NP. However, we also present a new polynomial-time algorithm for computing the entire Pareto front when the cluster centers are fixed, and for perhaps the most natural fairness objective: minimizing the sum, over all clusters, of the imbalance between the two groups in each cluster.

The widespread application of Artificial Intelligence (AI) techniques has significantly influenced the development of new therapeutic agents. These computational methods can be used to design and predict the properties of generated molecules. Multi-target Drug Discovery (MTDD) is an emerging paradigm for discovering drugs against complex disorders that do not respond well to more traditional target-specific treatments, such as central nervous system, immune system, and cardiovascular diseases. Still, there is yet to be an established benchmark suite for assessing the effectiveness of AI tools for designing multi-target compounds. Standardized benchmarks allow for comparing existing techniques and promote rapid research progress. Hence, this work proposes an evaluation framework for molecule generation techniques in MTDD scenarios, considering brain diseases as a case study. Our methodology involves using large language models to select the appropriate molecular targets, gathering and preprocessing the bioassay datasets, training quantitative structure-activity relationship models to predict target modulation, and assessing other essential drug-likeness properties for implementing the benchmarks. Additionally, this work will assess the performance of four deep generative models and evolutionary algorithms over our benchmark suite. In our findings, both evolutionary algorithms and generative models can achieve competitive results across the proposed benchmarks.

Recent theoretical works have shown that the NSGA-II can have enormous difficulties to solve problems with more than two objectives. In contrast, algorithms like the NSGA-III or SMS-EMOA, differing from the NSGA-II only in the secondary selection criterion, provably perform well in these situations. To remedy this shortcoming of the NSGA-II, but at the same time keep the advantages of the widely accepted crowding distance, we use the insights of these previous work to define a variant of the crowding distance, called truthful crowding distance. Different from the classic crowding distance, it has for any number of objectives the desirable property that a small crowding distance value indicates that some other solution has a similar objective vector. Building on this property, we conduct mathematical runtime analyses for the NSGA-II with truthful crowding distance. We show that this algorithm can solve the many-objective versions of the OneMinMax, COCZ, LOTZ, and OJZJ$_k$ problems in the same (polynomial) asymptotic runtimes as the NSGA-III and the SMS-EMOA. This contrasts the exponential lower bounds previously shown for the classic NSGA-II. For the bi-objective versions of these problems, our NSGA-II has a similar performance as the classic NSGA-II, gaining however from smaller admissible population sizes. For the bi-objective OneMinMax problem, we also observe a (minimally) better performance in approximating the Pareto front. These results suggest that our truthful version of the NSGA-II has the same good performance as the classic NSGA-II in two objectives, but can resolve the drastic problems in more than two objectives.

Feature selection plays a pivotal role in the data preprocessing and model-building pipeline, significantly enhancing model performance, interpretability, and resource efficiency across diverse domains. In population-based optimization methods, the generation of diverse individuals holds utmost importance for adequately exploring the problem landscape, particularly in highly multi-modal multi-objective optimization problems. Our study reveals that, in line with findings from several prior research papers, commonly employed crossover and mutation operations lack the capability to generate high-quality diverse individuals and tend to become confined to limited areas around various local optima. This paper introduces an augmentation to the diversity of the population in the well-established multi-objective scheme of the genetic algorithm, NSGA-II. This enhancement is achieved through two key components: the genuine initialization method and the substitution of the worst individuals with new randomly generated individuals as a re-initialization approach in each generation. The proposed multi-objective feature selection method undergoes testing on twelve real-world classification problems, with the number of features ranging from 2,400 to nearly 50,000. The results demonstrate that replacing the last front of the population with an equivalent number of new random individuals generated using the genuine initialization method and featuring a limited number of features substantially improves the population's quality and, consequently, enhances the performance of the multi-objective algorithm.

As AI solutions enter safety-critical products, the explainability and interpretability of solutions generated by AI products become increasingly important. In the long term, such explanations are the key to gaining users' acceptance of AI-based systems' decisions. We report on applying a model-driven-based optimisation to search for an interpretable and explainable policy that solves the game 2048. This paper describes a solution to the GECCO'24 Interpretable Control Competition using the open-source software EvoAl. We aimed to develop an approach for creating interpretable policies that are easy to adapt to new ideas.

Complex urban road networks with high vehicle occupancy frequently face severe traffic congestion. Designing an effective strategy for managing multiple traffic lights plays a crucial role in managing congestion. However, most current traffic light management systems rely on human-crafted decisions, which may not adapt well to diverse traffic patterns. In this paper, we delve into two pivotal design components of the traffic light management system that can be dynamically adjusted to various traffic conditions: phase combination and phase time allocation. While numerous studies have sought an efficient strategy for managing traffic lights, most of these approaches consider a fixed traffic pattern and are limited to relatively small road networks. To overcome these limitations, we introduce a novel and practical framework to formulate the optimization of such design components using an offline meta black-box optimization. We then present a simple yet effective method to efficiently find a solution for the aforementioned problem. In our framework, we first collect an offline meta dataset consisting of pairs of design choices and corresponding congestion measures from various traffic patterns. After collecting the dataset, we employ the Attentive Neural Process (ANP) to predict the impact of the proposed design on congestion across various traffic patterns with well-calibrated uncertainty. Finally, Bayesian optimization, with ANP as a surrogate model, is utilized to find an optimal design for unseen traffic patterns through limited online simulations. Our experiment results show that our method outperforms state-of-the-art baselines on complex road networks in terms of the number of waiting vehicles. Surprisingly, the deployment of our method into a real-world traffic system was able to improve traffic throughput by 4.80\% compared to the original strategy.

Soft robots diverge from traditional rigid robotics, offering unique advantages in adaptability, safety, and human-robot interaction. In some cases, soft robots can be powered by biohybrid actuators and the design process of these systems is far from straightforward. We analyse here two algorithms that may assist the design of these systems, namely, NEAT (NeuroEvolution of Augmented Topologies) and HyperNEAT (Hypercube-based NeuroEvolution of Augmented Topologies). These algorithms exploit the evolution of the structure of actuators encoded through neural networks. To evaluate these algorithms, we compare them with a similar approach using the Age Fitness Pareto Optimization (AFPO) algorithm, with a focus on assessing the maximum displacement achieved by the discovered biohybrid morphologies. Additionally, we investigate the effects of optimization against both the volume of these morphologies and the distance they can cover. To further accelerate the computational process, the proposed methodology is implemented in a client-server setting; so, the most demanding calculations can be executed on specialized and efficient hardware. The results indicate that the HyperNEAT-based approach excels in identifying morphologies with minimal volumes that still achieve satisfactory displacement targets.

Exoskeletons can boost human strength and provide assistance to individuals with physical disabilities. However, ensuring safety and optimal performance in their design poses substantial challenges. This study presents the design process for an underactuated hand exoskeleton (U-HEx), first including a single objective (maximizing force transmission), then expanding into multi objective (also minimizing torque variance and actuator displacement). The optimization relies on a Genetic Algorithm, the Big Bang-Big Crunch Algorithm, and their versions for multi-objective optimization. Analyses revealed that using Big Bang-Big Crunch provides high and more consistent results in terms of optimality with lower convergence time. In addition, adding more objectives offers a variety of trade-off solutions to the designers, who might later set priorities for the objectives without repeating the process - at the cost of complicating the optimization algorithm and computational burden. These findings underline the importance of performing proper optimization while designing exoskeletons, as well as providing a significant improvement to this specific robotic design.

This research investigates the performance and efficiency of Unmanned Surface Vehicles (USVs) in multi-target tracking scenarios using the Adaptive Particle Swarm Optimization with k-Nearest Neighbors (APSO-kNN) algorithm. The study explores various search patterns-Random Walk, Spiral, Lawnmower, and Cluster Search to assess their effectiveness in dynamic environments. Through extensive simulations, we evaluate the impact of different search strategies, varying the number of targets and USVs' sensing capabilities, and integrating a Pursuit-Evasion model to test adaptability. Our findings demonstrate that systematic search patterns like Spiral and Lawnmower provide superior coverage and tracking accuracy, making them ideal for thorough area exploration. In contrast, the Random Walk pattern, while highly adaptable, shows lower accuracy due to its non-deterministic nature, and Cluster Search maintains group cohesion but is heavily dependent on target distribution. The mixed strategy, combining multiple patterns, offers robust performance across varied scenarios, while APSO-kNN effectively balances exploration and exploitation, making it a promising approach for real-world applications such as surveillance, search and rescue, and environmental monitoring. This study provides valuable insights into optimizing search strategies and sensing configurations for USV swarms, ultimately enhancing their operational efficiency and success in complex environments.