Evolutionary computation is an important component within various fields such as artificial intelligence research, reinforcement learning, robotics, industrial automation and/or optimization, engineering design, etc. Considering the increasing computational demands and the dimensionalities of modern optimization problems, the requirement for scalable, re-usable, and practical evolutionary algorithm implementations has been growing. To address this requirement, we present EvoTorch: an evolutionary computation library designed to work with high-dimensional optimization problems, with GPU support and with high parallelization capabilities. EvoTorch is based on and seamlessly works with the PyTorch library, and therefore, allows the users to define their optimization problems using a well-known API.

Whenever applicable, the Stochastic Gradient Descent (SGD) has shown itself to be unreasonably effective. Instead of underperforming and getting trapped in local minima due to the batch noise, SGD leverages it to learn to generalize better and find minima that are good enough for the entire dataset. This led to numerous theoretical and experimental investigations, especially in the context of Artificial Neural Networks (ANNs), leading to better machine learning algorithms. However, SGD is not applicable in a non-differentiable setting, leaving all that prior research off the table. In this paper, we show that a class of evolutionary algorithms (EAs) inspired by the Gillespie-Orr Mutational Landscapes model for natural evolution is formally equivalent to SGD in certain settings and, in practice, is well adapted to large ANNs. We refer to such EAs as Gillespie-Orr EA class (GO-EAs) and empirically show how an insight transfer from SGD can work for them. We then show that for ANNs trained to near-optimality or in the transfer learning setting, the equivalence also allows transferring the insights from the Mutational Landscapes model to SGD. We then leverage this equivalence to experimentally show how SGD and GO-EAs can provide mutual insight through examples of minima flatness, transfer learning, and mixing of individuals in EAs applied to large models.

Magnesium alloys are attractive options for temporary bio-implants because of their biocompatibility, controlled corrosion rate, and similarity to natural bone in terms of stiffness and density. Nevertheless, their low mechanical strength hinders their use as cardiovascular stents and bone substitutes. While it is possible to engineer alloys with the desired mechanical strength, optimizing the mechanical properties of biocompatible magnesium alloys using conventional experimental methods is time-consuming and expensive. Therefore, Artificial Intelligence (AI) can be leveraged to streamline the alloy design process and reduce the required time. In this study, a machine learning model was developed to predict the yield strength (YS) of biocompatible magnesium alloys with an $R^2$ accuracy of 91\%. The predictive model was then validated using the CALPHAD technique and thermodynamics calculations. Next, the predictive model was employed as the fitness function of a genetic algorithm to optimize the alloy composition for high-strength biocompatible magnesium implants. As a result, two alloys were proposed and synthesized, exhibiting YS values of 108 and 113 MPa, respectively. These values were substantially higher than those of conventional magnesium biocompatible alloys and closer to the YS and compressive strength of natural bone. Finally, the synthesized alloys were subjected to microstructure analysis and mechanical property testing to validate and evaluate the performance of the proposed AI-based alloy design approach for creating alloys with specific properties suitable for diverse applications.

Lexicase selection is a widely used parent selection algorithm in genetic programming, known for its success in various task domains such as program synthesis, symbolic regression, and machine learning. Due to its non-parametric and recursive nature, calculating the probability of each individual being selected by lexicase selection has been proven to be an NP-hard problem, which discourages deeper theoretical understanding and practical improvements to the algorithm. In this work, we introduce probabilistic lexicase selection (plexicase selection), a novel parent selection algorithm that efficiently approximates the probability distribution of lexicase selection. Our method not only demonstrates superior problem-solving capabilities as a semantic-aware selection method, but also benefits from having a probabilistic representation of the selection process for enhanced efficiency and flexibility. Experiments are conducted in two prevalent domains in genetic programming: program synthesis and symbolic regression, using standard benchmarks including PSB and SRBench. The empirical results show that plexicase selection achieves state-of-the-art problem-solving performance that is competitive to the lexicase selection, and significantly outperforms lexicase selection in computation efficiency.

A variety of established methods exist for modeling data, ranging from traditional machine learning techniques (linear regression, ridge regression, polynomial regression) to deep learning approaches (neural networks). However, these methods suffer from constraints and/or interpretability, such as limiting the model to a particular shape (e.g., linear), or being too complex to interpret (black box models). Symbolic Regression (SR) is less constrained and searches through the mathematical space of equations. SR allows for discovering a broader range of functional relationships, including those with nonlinear or intricate interactions between variables.

We introduce Multi-Objective Counterfactuals for Design (MCD), a novel method for counterfactual optimization in design problems. Counterfactuals are hypothetical situations that can lead to a different decision or choice. In this paper, the authors frame the counterfactual search problem as a design recommendation tool that can help identify modifications to a design, leading to better functional performance. MCD improves upon existing counterfactual search methods by supporting multi-objective queries, which are crucial in design problems, and by decoupling the counterfactual search and sampling processes, thus enhancing efficiency and facilitating objective tradeoff visualization. The paper demonstrates MCD's core functionality using a two-dimensional test case, followed by three case studies of bicycle design that showcase MCD's effectiveness in real-world design problems. In the first case study, MCD excels at recommending modifications to query designs that can significantly enhance functional performance, such as weight savings and improvements to the structural safety factor. The second case study demonstrates that MCD can work with a pre-trained language model to suggest design changes based on a subjective text prompt effectively. Lastly, the authors task MCD with increasing a query design's similarity to a target image and text prompt while simultaneously reducing weight and improving structural performance, demonstrating MCD's performance on a complex multimodal query. Overall, MCD has the potential to provide valuable recommendations for practitioners and design automation researchers looking for answers to their ``What if'' questions by exploring hypothetical design modifications and their impact on multiple design objectives. The code, test problems, and datasets used in the paper are available to the public at decode.mit.edu/projects/counterfactuals/.

Link prediction problem has increasingly become prominent in many domains such as social network analyses, bioinformatics experiments, transportation networks, criminal investigations and so forth. A variety of techniques has been developed for link prediction problem, categorized into 1) similarity based approaches which study a set of features to extract similar nodes; 2) learning based approaches which extract patterns from the input data; 3) probabilistic statistical approaches which optimize a set of parameters to establish a model which can best compute formation probability. However, existing literatures lack approaches which utilize strength of each approach by integrating them to achieve a much more productive one. To tackle the link prediction problem, we propose an approach based on the combination of first and second group methods; the existing studied works use just one of these categories. Our two-phase developed method firstly determines new features related to the position and dynamic behavior of nodes, which enforce the approach more efficiency compared to approaches using mere measures. Then, a subspace clustering algorithm is applied to group social objects based on the computed similarity measures which differentiate the strength of clusters; basically, the usage of local and global indices and the clustering information plays an imperative role in our link prediction process. Some extensive experiments held on real datasets including Facebook, Brightkite and HepTh indicate good performances of our proposal method. Besides, we have experimentally verified our approach with some previous techniques in the area to prove the supremacy of ours.

Du e to rapid population growth and the need to use artificial intelligence to make quick decisions, developing a machine learning-based disease detection model and abnormality identification system has greatly improved the level of medical diagnosis Since COVID-19 has become one of the most severe diseases in the world, developing an automatic COVID-19 detection framework helps medical doctors in the diagnostic process of disease and provides correct and fast results. In this paper, we propose a machine lear ning based framework for the detection of Covid 19. The proposed model employs a Tsukamoto Neuro Fuzzy Inference network to identify and distinguish Covid 19 disease from normal and pneumonia cases. While the traditional training methods tune the parameters of the neuro-fuzzy model by gradient-based algorithms and recursive least square method, we use an evolutionary-based optimization, the Cat swarm algorithm to update the parameters. In addition, six texture features extracted from chest X-ray images are give n as input to the model. Finally, the proposed model is conducted on the chest X-ray dataset to detect Covid 19. The simulation results indicate that the proposed model achieves an accuracy of 98.51%, sensitivity of 98.35%, specificity of 98.08%, and F1 score of 98.17%.

Quality-Diversity (QD) algorithms have recently gained traction as optimisation methods due to their effectiveness at escaping local optima and capability of generating wide-ranging and high-performing solutions. Recently, Multi-Objective MAP-Elites (MOME) extended the QD paradigm to the multi-objective setting by maintaining a Pareto front in each cell of a map-elites grid. MOME achieved a global performance that competed with NSGA-II and SPEA2, two well-established Multi-Objective Evolutionary Algorithms (MOEA), while also acquiring a diverse repertoire of solutions. However, MOME is limited by non-directed genetic search mechanisms which struggle in high-dimensional search spaces. In this work, we present Multi-Objective MAP-Elites with Policy-Gradient Assistance and Crowding-based Exploration (MOME-PGX): a new QD algorithm that extends MOME to improve its data efficiency and performance. MOME-PGX uses gradient-based optimisation to efficiently drive solutions towards higher performance. It also introduces crowding-based mechanisms to create an improved exploration strategy and to encourage uniformity across Pareto fronts. We evaluate MOME-PGX in four simulated robot locomotion tasks and demonstrate that it converges faster and to a higher performance than all other baselines. We show that MOME-PGX is between 4.3 and 42 times more data-efficient than MOME and doubles the performance of MOME, NSGA-II and SPEA2 in challenging environments.

Machine learning has recently made significant strides in reducing design cycle time for complex products. Ship design, which currently involves years long cycles and small batch production, could greatly benefit from these advancements. By developing a machine learning tool for ship design that learns from the design of many different types of ships, tradeoffs in ship design could be identified and optimized. However, the lack of publicly available ship design datasets currently limits the potential for leveraging machine learning in generalized ship design. To address this gap, this paper presents a large dataset of thirty thousand ship hulls, each with design and functional performance information, including parameterization, mesh, point cloud, and image representations, as well as thirty two hydrodynamic drag measures under different operating conditions. The dataset is structured to allow human input and is also designed for computational methods. Additionally, the paper introduces a set of twelve ship hulls from publicly available CAD repositories to showcase the proposed parameterizations ability to accurately reconstruct existing hulls. A surrogate model was developed to predict the thirty two wave drag coefficients, which was then implemented in a genetic algorithm case study to reduce the total drag of a hull by sixty percent while maintaining the shape of the hulls cross section and the length of the parallel midbody. Our work provides a comprehensive dataset and application examples for other researchers to use in advancing data driven ship design.