The performance of Variational Quantum Algorithms (VQAs) strongly depends on the choice of the parameterized quantum circuit to optimize. One of the biggest challenges in VQAs is designing quantum circuits tailored to the particular problem and to the quantum hardware. This article proposes a gradient-free Monte Carlo Tree Search (MCTS) technique to automate the process of quantum circuit design. It introduces a novel formulation of the action space based on a sampling scheme and a progressive widening technique to explore the space dynamically. When testing our MCTS approach on the domain of random quantum circuits, MCTS approximates unstructured circuits under different values of stabilizer R\'enyi entropy. It turns out that MCTS manages to approximate the benchmark quantum states independently from their degree of nonstabilizerness. Next, our technique exhibits robustness across various application domains, including quantum chemistry and systems of linear equations. Compared to previous MCTS research, our technique reduces the number of quantum circuit evaluations by a factor of 10 to 100 while achieving equal or better results. In addition, the resulting quantum circuits have up to three times fewer CNOT gates.

Symbolic regression (SR) is an emerging branch of machine learning focused on discovering simple and interpretable mathematical expressions from data. Although a wide-variety of SR methods have been developed, they often face challenges such as high computational cost, poor scalability with respect to the number of input dimensions, fragility to noise, and an inability to balance accuracy and complexity. This work introduces SyMANTIC, a novel SR algorithm that addresses these challenges. SyMANTIC efficiently identifies (potentially several) low-dimensional descriptors from a large set of candidates (from $\sim 10^5$ to $\sim 10^{10}$ or more) through a unique combination of mutual information-based feature selection, adaptive feature expansion, and recursively applied $\ell_0$-based sparse regression. In addition, it employs an information-theoretic measure to produce an approximate set of Pareto-optimal equations, each offering the best-found accuracy for a given complexity. Furthermore, our open-source implementation of SyMANTIC, built on the PyTorch ecosystem, facilitates easy installation and GPU acceleration. We demonstrate the effectiveness of SyMANTIC across a range of problems, including synthetic examples, scientific benchmarks, real-world material property predictions, and chaotic dynamical system identification from small datasets. Extensive comparisons show that SyMANTIC uncovers similar or more accurate models at a fraction of the cost of existing SR methods.

The Federated Learning paradigm facilitates effective distributed machine learning in settings where training data is decentralized across multiple clients. As the popularity of the strategy grows, increasingly complex real-world problems emerge, many of which require balancing conflicting demands such as fairness, utility, and resource consumption. Recent works have begun to recognise the use of a multi-objective perspective in answer to this challenge. However, this novel approach of combining federated methods with multi-objective optimisation has never been discussed in the broader context of both fields. In this work, we offer a first clear and systematic overview of the different ways the two fields can be integrated. We propose a first taxonomy on the use of multi-objective methods in connection with Federated Learning, providing a targeted survey of the state-of-the-art and proposing unambiguous labels to categorise contributions. Given the developing nature of this field, our taxonomy is designed to provide a solid basis for further research, capturing existing works while anticipating future additions. Finally, we outline open challenges and possible directions for further research.

This paper introduces a novel approach to improving Genetic Algorithms (GA) in large or complex problem spaces by incorporating new chromosome patterns in the breeding process through border trade activities. These strategies increase chromosome diversity, preventing premature convergence and enhancing the GA's ability to explore the solution space more effectively. Empirical evidence demonstrates significant improvements in convergence behavior. This approach offers a promising pathway to addressing challenges in optimizing large or complex problem domains.

Genetic programming is an optimization algorithm inspired by natural selection which automatically evolves the structure of computer programs. The resulting computer programs are interpretable and efficient compared to black-box models with fixed structure. The fitness evaluation in genetic programming suffers from high computational requirements, limiting the performance on difficult problems. To reduce the runtime, many implementations of genetic programming require a specific data format, making the applicability limited to specific problem classes. Consequently, there is no efficient genetic programming framework that is usable for a wide range of tasks. To this end, we developed Kozax, a genetic programming framework that evolves symbolic expressions for arbitrary problems. We implemented Kozax using JAX, a framework for high-performance and scalable machine learning, which allows the fitness evaluation to scale efficiently to large populations or datasets on GPU. Furthermore, Kozax offers constant optimization, custom operator definition and simultaneous evolution of multiple trees. We demonstrate successful applications of Kozax to discover equations of natural laws, recover equations of hidden dynamic variables and evolve a control policy. Overall, Kozax provides a general, fast, and scalable library to optimize white-box solutions in the realm of scientific computing.

Materials design is an important component of modern science and technology, yet traditional approaches rely heavily on trial-and-error and can be inefficient. Computational techniques, enhanced by modern artificial intelligence (AI), have greatly accelerated the design of new materials. Among these approaches, inverse design has shown great promise in designing materials that meet specific property requirements. In this mini-review, we summarize key computational advancements for materials design over the past few decades. We follow the evolution of relevant materials design techniques, from high-throughput forward machine learning (ML) methods and evolutionary algorithms, to advanced AI strategies like reinforcement learning (RL) and deep generative models. We highlight the paradigm shift from conventional screening approaches to inverse generation driven by deep generative models. Finally, we discuss current challenges and future perspectives of materials inverse design. This review may serve as a brief guide to the approaches, progress, and outlook of designing future functional materials with technological relevance.

Quality-Diversity has emerged as a powerful family of evolutionary algorithms that generate diverse populations of high-performing solutions by implementing local competition principles inspired by biological evolution. While these algorithms successfully foster diversity and innovation, their specific mechanisms rely on heuristics, such as grid-based competition in MAP-Elites or nearest-neighbor competition in unstructured archives. In this work, we propose a fundamentally different approach: using meta-learning to automatically discover novel Quality-Diversity algorithms. By parameterizing the competition rules using attention-based neural architectures, we evolve new algorithms that capture complex relationships between individuals in the descriptor space. Our discovered algorithms demonstrate competitive or superior performance compared to established Quality-Diversity baselines while exhibiting strong generalization to higher dimensions, larger populations, and out-of-distribution domains like robot control. Notably, even when optimized solely for fitness, these algorithms naturally maintain diverse populations, suggesting meta-learning rediscovers that diversity is fundamental to effective optimization.

The combination of Federated Learning (FL), Multimodal Large Language Models (MLLMs), and edge-cloud computing enables distributed and real-time data processing while preserving privacy across edge devices and cloud infrastructure. However, the deployment of MLLMs in FL environments with resource-constrained edge devices presents significant challenges, including resource management, communication overhead, and non-IID data. To address these challenges, we propose a novel hybrid framework wherein MLLMs are deployed on edge devices equipped with sufficient resources and battery life, while the majority of training occurs in the cloud. To identify suitable edge devices for deployment, we employ Particle Swarm Optimization (PSO), and Ant Colony Optimization (ACO) is utilized to optimize the transmission of model updates between edge and cloud nodes. This proposed swarm intelligence-based framework aims to enhance the efficiency of MLLM training by conducting extensive training in the cloud and fine-tuning at the edge, thereby reducing energy consumption and communication costs. Our experimental results show that the proposed method significantly improves system performance, achieving an accuracy of 92%, reducing communication cost by 30%, and enhancing client participation compared to traditional FL methods. These results make the proposed approach highly suitable for large-scale edge-cloud computing systems.

Machine learning algorithms that learn black-box predictive models (which cannot be directly interpreted) are increasingly used to make predictions affecting the lives of people. It is important that users understand the predictions of such models, particularly when the model outputs a negative prediction for the user (e.g. denying a loan). Counterfactual explanations provide users with guidance on how to change some of their characteristics to receive a different, positive classification by a predictive model. For example, if a predictive model rejected a loan application from a user, a counterfactual explanation might state: If your salary was {\pounds}50,000 (rather than your current {\pounds}35,000), then your loan would be approved. This paper proposes two novel contributions: (a) a novel multi-objective Evolutionary Algorithm (EA) for counterfactual generation based on lexicographic optimisation, rather than the more popular Pareto dominance approach; and (b) an extension to the definition of the objective of validity for a counterfactual, based on measuring the resilience of a counterfactual to violations of monotonicity constraints which are intuitively expected by users; e.g., intuitively, the probability of a loan application to be approved would monotonically increase with an increase in the salary of the applicant. Experiments involving 15 experimental settings (3 types of black box models times 5 datasets) have shown that the proposed lexicographic optimisation-based EA is very competitive with an existing Pareto dominance-based EA; and the proposed extension of the validity objective has led to a substantial increase in the validity of the counterfactuals generated by the proposed EA.

Approximately at the same time, based on the ideas This work proposes an approach that uses an evolutionary presented by Newell, Rosenbloom and Laird (1989), Laird algorithm along traditional Machine Learning methods released early versions of the SOAR cognitive architecture to build a digital, distributed cognitive agent capable of (Laird and Rosenbloom, 1996; Laird, 2012). By the end of emulating the potential actions (input-output behavior) of the 1990s, a large group of researchers involved in the Simulation a user while allowing further analysis and experimentation of Adaptive Behavior shaped the concept of Cognitive - at a certain level - of its internal structures. We focus Architecture as an essential set of structures and processes on the usage of simple devices and the automation of this necessary for the generation of a computational, cognitive building process, rather than manually designing the agent.