Feature selection is a critical step in the analysis of high-dimensional data, where the number of features often vastly exceeds the number of samples. Effective feature selection not only improves model performance and interpretability but also reduces computational costs and mitigates the risk of overfitting. In this context, we propose a novel feature selection method for high-dimensional data, based on the well-known permutation feature importance approach, but extending it to evaluate subsets of attributes rather than individual features. This extension more effectively captures how interactions among features influence model performance. The proposed method employs a multi-objective evolutionary algorithm to search for candidate feature subsets, with the objectives of maximizing the degradation in model performance when the selected features are shuffled, and minimizing the cardinality of the feature subset. The effectiveness of our method has been validated on a set of 24 publicly available high-dimensional datasets for classification and regression tasks, and compared against 9 well-established feature selection methods designed for high-dimensional problems, including the conventional permutation feature importance method. The results demonstrate the ability of our approach in balancing accuracy and computational efficiency, providing a powerful tool for feature selection in complex, high-dimensional datasets.

Efficient surgery room scheduling is essential for hospital efficiency, patient satisfaction, and resource utilization. This study addresses this challenge by introducing a novel concept of Random-Key Optimizer (RKO), rigorously tested on literature and new, real-world inspired instances. Our combinatorial optimization problem incorporates multi-room scheduling, equipment scheduling, and complex availability constraints for rooms, patients, and surgeons, facilitating rescheduling and enhancing operational flexibility. The RKO approach represents solutions as points in a continuous space, which are then mapped in the problem solution space via a deterministic function known as a decoder. The core idea is to operate metaheuristics and heuristics in the random-key space, unaware of the original solution space. We design the Biased Random-Key Genetic Algorithm with $Q$-Learning, Simulated Annealing, and Iterated Local Search for use within an RKO framework, employing a single decoder function. The proposed metaheuristics are complemented by lower-bound formulations, providing optimal gaps for evaluating the effectiveness of the heuristic results. Our results demonstrate significant lower and upper bounds improvements for the literature instances, notably proving one optimal result. Furthermore, the best-proposed metaheuristic efficiently generates schedules for the newly introduced instances, even in highly constrained scenarios. This research offers valuable insights and practical solutions for improving surgery scheduling processes, offering tangible benefits to hospitals by optimising resource allocation, reducing patient wait times, and enhancing overall operational efficiency.

Noise remains a fundamental challenge in quantum computing, significantly affecting pulse fidelity and overall circuit performance. This paper introduces an adaptive algorithm for pulse-level quantum error mitigation, designed to enhance fidelity by dynamically responding to noise conditions without modifying circuit gates. By targeting pulse parameters directly, this method reduces the impact of various noise sources, improving algorithm resilience in quantum circuits. We show the latter by applying our protocol to Grover's and Deutsch-Jozsa algorithms. Experimental results show that this pulse-level strategy provides a flexible and efficient solution for increasing fidelity during the noisy execution of quantum circuits. Our work contributes to advancements in error mitigation techniques, essential for robust quantum computing.

Recent advances in neural models have shown considerable promise in solving Traveling Salesman Problems (TSPs) without relying on much hand-crafted engineering. However, while non-autoregressive (NAR) approaches benefit from faster inference through parallelism, they typically deliver solutions of inferior quality compared to autoregressive ones. To enhance the solution quality while maintaining fast inference, we propose DEITSP, a diffusion model with efficient iterations tailored for TSP that operates in a NAR manner. Firstly, we introduce a one-step diffusion model that integrates the controlled discrete noise addition process with self-consistency enhancement, enabling optimal solution prediction through simultaneous denoising of multiple solutions. Secondly, we design a dual-modality graph transformer to bolster the extraction and fusion of features from node and edge modalities, while further accelerating the inference with fewer layers. Thirdly, we develop an efficient iterative strategy that alternates between adding and removing noise to improve exploration compared to previous diffusion methods. Additionally, we devise a scheduling framework to progressively refine the solution space by adjusting noise levels, facilitating a smooth search for optimal solutions. Extensive experiments on real-world and large-scale TSP instances demonstrate that DEITSP performs favorably against existing neural approaches in terms of solution quality, inference latency, and generalization ability. Our code is available at $\href{https://github.com/DEITSP/DEITSP}{https://github.com/DEITSP/DEITSP}$.

Battery health estimation is fundamental to ensure battery safety and reduce cost. However, achieving accurate estimation has been challenging due to the batteries' complex nonlinear aging patterns and capacity regeneration phenomena. In this paper, we propose OSL, an optimal signal decomposition-based multi-stage machine learning for battery health estimation. OSL treats battery signals optimally. It uses optimized variational mode decomposition to extract decomposed signals capturing different frequency bands of the original battery signals. It also incorporates a multi-stage learning process to analyze both spatial and temporal battery features effectively. An experimental study is conducted with a public battery aging dataset. OSL demonstrates exceptional performance with a mean error of just 0.26%. It significantly outperforms comparison algorithms, both those without and those with suboptimal signal decomposition and analysis. OSL considers practical battery challenges and can be integrated into real-world battery management systems, offering a good impact on battery monitoring and optimization.

The field of quantum computing is generating significant anticipation within the scientific and industrial communities due to its potential to revolutionize computing paradigms. Recognizing this potential, this paper explores the integration of transfer of knowledge techniques, traditionally used in classical artificial intelligence, into quantum computing. We present a comprehensive classification of the transfer models, focusing on Transfer Learning and Transfer Optimization. Additionally, we analyze relevant schemes in quantum computing that can benefit from knowledge sharing, and we delve into the potential synergies, supported by theoretical insights and initial experimental results. Our findings suggest that leveraging the transfer of knowledge can enhance the efficiency and effectiveness of quantum algorithms, particularly in the context of hybrid solvers. This approach not only accelerates the optimization process but also reduces the computational burden on quantum processors, making it a valuable tool for advancing quantum computing technologies.

We explore a capability of evolution strategies to train an agent with its policy based on a transformer architecture in a reinforcement learning setting. We performed experiments using OpenAI's highly parallelizable evolution strategy to train Decision Transformer in Humanoid locomotion environment and in the environment of Atari games, testing the ability of this black-box optimization technique to train even such relatively large and complicated models (compared to those previously tested in the literature). We also proposed a method to aid the training by first pretraining the model before using the OpenAI-ES to train it further, and tested its effectiveness. The examined evolution strategy proved to be, in general, capable of achieving strong results and managed to obtain high-performing agents. Therefore, the pretraining was shown to be unnecessary; yet still, it helped us observe and formulate several further insights.

Federated Learning (FL) is a distributed machine learning strategy, developed for settings where training data is owned by distributed devices and cannot be shared. FL circumvents this constraint by carrying out model training in distribution. The parameters of these local models are shared intermittently among participants and aggregated to enhance model accuracy. This strategy has been rapidly adopted by the industry in efforts to overcome privacy and resource constraints in model training. However, the application of FL to real-world settings brings additional challenges associated with heterogeneity between participants. Research into mitigating these difficulties in FL has largely focused on only two types of heterogeneity: the unbalanced distribution of training data, and differences in client resources. Yet more types of heterogeneity are becoming relevant as the capability of FL expands to cover more complex problems, from the tuning of LLMs to enabling machine learning on edge devices. In this work, we discuss a novel type of heterogeneity that is likely to become increasingly relevant in future applications: this is preference heterogeneity, emerging when clients learn under multiple objectives, with different importance assigned to each objective on different clients. In this work, we discuss the implications of this type of heterogeneity and propose FedPref, a first algorithm designed to facilitate personalised FL in this setting. We demonstrate the effectiveness of the algorithm across different problems, preference distributions and model architectures. In addition, we introduce a new analytical point of view, based on multi-objective metrics, for evaluating the performance of FL algorithms in this setting beyond the traditional client-focused metrics. We perform a second experimental analysis based in this view, and show that FedPref outperforms compared algorithms.

Differential evolution (DE) algorithm is recognized as one of the most effective evolutionary algorithms, demonstrating remarkable efficacy in black-box optimization due to its derivative-free nature. Numerous enhancements to the fundamental DE have been proposed, incorporating innovative mutation strategies and sophisticated parameter tuning techniques to improve performance. However, no single variant has proven universally superior across all problems. To address this challenge, we introduce a novel framework that employs reinforcement learning (RL) to automatically design DE for black-box optimization through meta-learning. RL acts as an advanced meta-optimizer, generating a customized DE configuration that includes an optimal initialization strategy, update rule, and hyperparameters tailored to a specific black-box optimization problem. This process is informed by a detailed analysis of the problem characteristics. In this proof-of-concept study, we utilize a double deep Q-network for implementation, considering a subset of 40 possible strategy combinations and parameter optimizations simultaneously. The framework's performance is evaluated against black-box optimization benchmarks and compared with state-of-the-art algorithms. The experimental results highlight the promising potential of our proposed framework.

This study introduces a robust framework for generating procedural 3D models of maize (Zea mays) plants from LiDAR point cloud data, offering a scalable alternative to traditional field-based phenotyping. Our framework leverages Non-Uniform Rational B-Spline (NURBS) surfaces to model the leaves of maize plants, combining Particle Swarm Optimization (PSO) for an initial approximation of the surface and a differentiable programming framework for precise refinement of the surface to fit the point cloud data. In the first optimization phase, PSO generates an approximate NURBS surface by optimizing its control points, aligning the surface with the LiDAR data, and providing a reliable starting point for refinement. The second phase uses NURBS-Diff, a differentiable programming framework, to enhance the accuracy of the initial fit by refining the surface geometry and capturing intricate leaf details. Our results demonstrate that, while PSO establishes a robust initial fit, the integration of differentiable NURBS significantly improves the overall quality and fidelity of the reconstructed surface. This hierarchical optimization strategy enables accurate 3D reconstruction of maize leaves across diverse genotypes, facilitating the subsequent extraction of complex traits like phyllotaxy. We demonstrate our approach on diverse genotypes of field-grown maize plants. All our codes are open-source to democratize these phenotyping approaches.