Generalizability of Functional Forms for Interatomic Potential Models Discovered by Symbolic Regression Alberto Hernandez and Tim Mueller ABSTRACT In recent years there has been great progress in the use of machine learning algorithms to develop interatomic potential models. Machine-learned potential models are typically orders of magnitude faster than density functional theory but also orders of magnitude slower than physics-derived models such as the embedded atom method. In our previous work, we used symbolic regression to develop fast, accurate and transferrable interatomic potential models for copper with novel functional forms that resemble those of the embedded atom method. To determine the extent to which the success of these forms was specific to copper, here we explore the generalizability of these models to other facecentered cubic transition metals and analyze their out-of-sample performance on several material properties. We found that these forms work particularly well on elements that are chemically similar to copper. When compared to optimized Sutton-Chen models, which have similar complexity, the functional forms discovered using symbolic regression perform better across all elements considered except gold where they have a similar performance. They perform similarly to a moderately more complex embedded atom form on properties on which they were trained, and they are more accurate on average on other properties. We attribute this improved generalized accuracy to the relative simplicity of the models discovered using symbolic regression. We discuss the implications of these results to the broader application of symbolic regression to the development of new potentials and highlight how models discovered for one element can be used to seed new searches for different elements. I. INTRODUCTION Researchers across several fields apply molecular dynamics and Monte Carlo simulations to advance the scientific understanding, discovery, and design of materials and molecules. Using these methods, the thermodynamic and kinetic properties of a material can be computed with knowledge of the potential energy surface. Ab initio methods such density functional theory [1] (DFT), which has demonstrated good predictive accuracy [2-4] across many chemistries and configurations of atoms, can be used to compute the potential energy surface, but the computational cost and non-linear scaling of these methods severely limits the time scale and number of atoms that can be practically modeled. Surrogate models, such as cluster expansions [5] and interatomic potential models (or force fields) [6-15], are normally orders of magnitude faster than ab initio methods and usually scale linearly with respect to system size. The improved speed and scaling of surrogate models enable atomistic simulations that inform the design of materials at larger time and length scales. Different types of interatomic potentials are commonly used for materials modeling.

The design of complex self-organising systems producing life-like phenomena, such as the open-ended evolution of virtual creatures, is one of the main goals of artificial life. Lenia, a family of cellular automata (CA) generalizing Conway's Game of Life to continuous space, time and states, has attracted a lot of attention because of the wide diversity of self-organizing patterns it can generate. Among those, some spatially localized patterns (SLPs) resemble life-like artificial creatures and display complex behaviors. However, those creatures are found in only a small subspace of the Lenia parameter space and are not trivial to discover, necessitating advanced search algorithms. Furthermore, each of these creatures exist only in worlds governed by specific update rules and thus cannot interact in the same one. This paper proposes as mass-conservative extension of Lenia, called Flow Lenia, that solve both of these issues. We present experiments demonstrating its effectiveness in generating SLPs with complex behaviors and show that the update rule parameters can be optimized to generate SLPs showing behaviors of interest. Finally, we show that Flow Lenia enables the integration of the parameters of the CA update rules within the CA dynamics, making them dynamic and localized, allowing for multi-species simulations, with locally coherent update rules that define properties of the emerging creatures, and that can be mixed with neighbouring rules. We argue that this paves the way for the intrinsic evolution of self-organized artificial life forms within continuous CAs.

This article offers a literature review of goalkeeper robots in the context of the RoboCupSoccer competition. The latter is one of the various league categories hosted by the RoboCup Federation, which fosters AI and Robotics with their landmark challenges. Despite the number of articles on the subject of the goalkeeper, there is a lack of studies offering a comprehensive and up-to-date analysis. We propose to provide a review of research related to goalkeepers within the RoboCupSoccer leagues in order to extract possible improvements and scientific issues. The goalkeeper, although being a specific player, has many skills in common with other players. Therefore, this review is divided into three parts: perception, cognition and action, where the perception and action parts are common to all players and the cognition part focuses on goalkeepers. The discussion will open up on the possible improvements of the developments made for these goalkeepers.

Cloud Robotics is helping to create a new generation of robots that leverage the nearly unlimited resources of large data centers (i.e., the cloud), overcoming the limitations imposed by on-board resources. Different processing power, capabilities, resource sizes, energy consumption, and so forth, make scheduling and task allocation critical components. The basic idea of task allocation and scheduling is to optimize performance by minimizing completion time, energy consumption, delays between two consecutive tasks, along with others, and maximizing resource utilization, number of completed tasks in a given time interval, and suchlike. In the past, several works have addressed various aspects of task allocation and scheduling. In this paper, we provide a comprehensive overview of task allocation and scheduling strategies and related metrics suitable for robotic network cloud systems. We discuss the issues related to allocation and scheduling methods and the limitations that need to be overcome. The literature review is organized according to three different viewpoints: Architectures and Applications, Methods and Parameters. In addition, the limitations of each method are highlighted for future research.

Recently, evolutionary computation (EC) has been promoted by machine learning, distributed computing, and big data technologies, resulting in new research directions of EC like distributed EC and surrogate-assisted EC. These advances have significantly improved the performance and the application scope of EC, but also trigger privacy leakages, such as the leakage of optimal results and surrogate model. Accordingly, evolutionary computation combined with privacy protection is becoming an emerging topic. However, privacy concerns in evolutionary computation lack a systematic exploration, especially for the object, motivation, position, and method of privacy protection. To this end, in this paper, we discuss three typical optimization paradigms (i.e., \textit{centralized optimization, distributed optimization, and data-driven optimization}) to characterize optimization modes of evolutionary computation and propose BOOM to sort out privacy concerns in evolutionary computation. Specifically, the centralized optimization paradigm allows clients to outsource optimization problems to the centralized server and obtain optimization solutions from the server. While the distributed optimization paradigm exploits the storage and computational power of distributed devices to solve optimization problems. Also, the data-driven optimization paradigm utilizes data collected in history to tackle optimization problems lacking explicit objective functions. Particularly, this paper adopts BOOM to characterize the object and motivation of privacy protection in three typical optimization paradigms and discusses potential privacy-preserving technologies balancing optimization performance and privacy guarantees in three typical optimization paradigms. Furthermore, this paper attempts to foresee some new research directions of privacy-preserving evolutionary computation.

With the fast improvement of machine learning, reinforcement learning (RL) has been used to automate human tasks in different areas. However, training such agents is difficult and restricted to expert users. Moreover, it is mostly limited to simulation environments due to the high cost and safety concerns of interactions in the real world. Demonstration Learning is a paradigm in which an agent learns to perform a task by imitating the behavior of an expert shown in demonstrations. It is a relatively recent area in machine learning, but it is gaining significant traction due to having tremendous potential for learning complex behaviors from demonstrations. Learning from demonstration accelerates the learning process by improving sample efficiency, while also reducing the effort of the programmer. Due to learning without interacting with the environment, demonstration learning would allow the automation of a wide range of real world applications such as robotics and healthcare. This paper provides a survey of demonstration learning, where we formally introduce the demonstration problem along with its main challenges and provide a comprehensive overview of the process of learning from demonstrations from the creation of the demonstration data set, to learning methods from demonstrations, and optimization by combining demonstration learning with different machine learning methods. We also review the existing benchmarks and identify their strengths and limitations. Additionally, we discuss the advantages and disadvantages of the paradigm as well as its main applications. Lastly, we discuss our perspective on open problems and research directions for this rapidly growing field.

In modern industrial collaborative robotic applications, it is desirable to create robot programs automatically, intuitively, and time-efficiently. Moreover, robots need to be controlled by reactive policies to face the unpredictability of the environment they operate in. In this paper we propose a framework that combines a method that learns Behavior Trees (BTs) from demonstration with a method that evolves them with Genetic Programming (GP) for collaborative robotic applications. The main contribution of this paper is to show that by combining the two learning methods we obtain a method that allows non-expert users to semi-automatically, time-efficiently, and interactively generate BTs. We validate the framework with a series of manipulation experiments. The BT is fully learnt in simulation and then transferred to a real collaborative robot.

Predicting body fat can provide medical practitioners and users with essential information for preventing and diagnosing heart diseases. Hybrid machine learning models offer better performance than simple regression analysis methods by selecting relevant body measurements and capturing complex nonlinear relationships among selected features in modelling body fat prediction problems. There are, however, some disadvantages to them. Current machine learning. Modelling body fat prediction as a combinatorial single- and multi-objective optimisation problem often gets stuck in local optima. When multiple feature subsets produce similar or close predictions, avoiding local optima becomes more complex. Evolutionary feature selection has been used to solve several machine-learning-based optimisation problems. A fuzzy set theory determines appropriate levels of exploration and exploitation while managing parameterisation and computational costs. A weighted-sum body fat prediction approach was explored using evolutionary feature selection, fuzzy set theory, and machine learning algorithms, integrating contradictory metrics into a single composite goal optimised by fuzzy adaptive evolutionary feature selection. Hybrid fuzzy adaptive global learning local search universal diversity-based feature selection is applied to this single-objective feature selection-machine learning framework (FAGLSUD-based FS-ML). While using fewer features, this model achieved a more accurate and stable estimate of body fat percentage than other hybrid and state-of-the-art machine learning models. A multi-objective FAGLSUD-based FS-MLP is also proposed to analyse accuracy, stability, and dimensionality conflicts simultaneously. To make informed decisions about fat deposits in the most vital body parts and blood lipid levels, medical practitioners and users can use a well-distributed Pareto set of trade-off solutions.

In this paper, a new feature selection algorithm, called SFE (Simple, Fast, and Efficient), is proposed for high-dimensional datasets. The SFE algorithm performs its search process using a search agent and two operators: non-selection and selection. It comprises two phases: exploration and exploitation. In the exploration phase, the non-selection operator performs a global search in the entire problem search space for the irrelevant, redundant, trivial, and noisy features, and changes the status of the features from selected mode to non-selected mode. In the exploitation phase, the selection operator searches the problem search space for the features with a high impact on the classification results, and changes the status of the features from non-selected mode to selected mode. The proposed SFE is successful in feature selection from high-dimensional datasets. However, after reducing the dimensionality of a dataset, its performance cannot be increased significantly. In these situations, an evolutionary computational method could be used to find a more efficient subset of features in the new and reduced search space. To overcome this issue, this paper proposes a hybrid algorithm, SFE-PSO (particle swarm optimization) to find an optimal feature subset. The efficiency and effectiveness of the SFE and the SFE-PSO for feature selection are compared on 40 high-dimensional datasets. Their performances were compared with six recently proposed feature selection algorithms. The results obtained indicate that the two proposed algorithms significantly outperform the other algorithms, and can be used as efficient and effective algorithms in selecting features from high-dimensional datasets.

While significant research progress has been made in robot learning for control, unique challenges arise when simultaneously co-optimizing morphology. Existing work has typically been tailored for particular environments or representations. In order to more fully understand inherent design and performance tradeoffs and accelerate the development of new breeds of soft robots, a comprehensive virtual platform with well-established tasks, environments, and evaluation metrics is needed. In this work, we introduce SoftZoo, a soft robot co-design platform for locomotion in diverse environments. SoftZoo supports an extensive, naturally-inspired material set, including the ability to simulate environments such as flat ground, desert, wetland, clay, ice, snow, shallow water, and ocean. Further, it provides a variety of tasks relevant for soft robotics, including fast locomotion, agile turning, and path following, as well as differentiable design representations for morphology and control. Combined, these elements form a feature-rich platform for analysis and development of soft robot co-design algorithms. We benchmark prevalent representations and co-design algorithms, and shed light on 1) the interplay between environment, morphology, and behavior; 2) the importance of design space representations; 3) the ambiguity in muscle formation and controller synthesis; and 4) the value of differentiable physics. We envision that SoftZoo will serve as a standard platform and template an approach toward the development of novel representations and algorithms for co-designing soft robots' behavioral and morphological intelligence.