Research and development in Unmanned Aerial Vehicles (UAVs) or Unmanned Aircraft Systems (UAS) has witnessed unprecedented scientific and commercial interest and growth, particularly during the last two decades. Although military applications dominated the global market for years, interest in using UAVs in civil and public domains increases exponentially, worldwide, albeit challenges related to integrating unmanned aviation into the national airspace. Sample applications include, but are not limited to, surveillance [1], search and rescue [2], aerial photography [3], fire monitoring [4], agriculture [5], and aerial delivery [6]. The listed applications refer to solely passive tasks, that is, tasks in which no UAV interaction with the environment is needed. However, contact with the environment is required in industrial and maintenance applications like bridge inspection, water damn inspection, high-voltage transmission line inspection [7], assembly tasks [8] or construction [9].

This study employs the Causal Machine Learning (CausalML) statistical method to analyze the influence of electricity pricing policies on carbon dioxide (CO2) levels in the household sector. Investigating the causality between potential outcomes and treatment effects, where changes in pricing policies are the treatment, our analysis challenges the conventional wisdom surrounding incentive-based electricity pricing. The study's findings suggest that adopting such policies may inadvertently increase CO2 intensity. Additionally, we integrate a machine learning-based meta-algorithm, reflecting a contemporary statistical approach, to enhance the depth of our causal analysis. The study conducts a comparative analysis of learners X, T, S, and R to ascertain the optimal methods based on the defined question's specified goals and contextual nuances. This research contributes valuable insights to the ongoing dialogue on sustainable development practices, emphasizing the importance of considering unintended consequences in policy formulation.

Trajectory computing is a pivotal domain encompassing trajectory data management and mining, garnering widespread attention due to its crucial role in various practical applications such as location services, urban traffic, and public safety. Traditional methods, focusing on simplistic spatio-temporal features, face challenges of complex calculations, limited scalability, and inadequate adaptability to real-world complexities. In this paper, we present a comprehensive review of the development and recent advances in deep learning for trajectory computing (DL4Traj). We first define trajectory data and provide a brief overview of widely-used deep learning models. Systematically, we explore deep learning applications in trajectory management (pre-processing, storage, analysis, and visualization) and mining (trajectory-related forecasting, trajectory-related recommendation, trajectory classification, travel time estimation, anomaly detection, and mobility generation). Notably, we encapsulate recent advancements in Large Language Models (LLMs) that hold the potential to augment trajectory computing. Additionally, we summarize application scenarios, public datasets, and toolkits. Finally, we outline current challenges in DL4Traj research and propose future directions. Relevant papers and open-source resources have been collated and are continuously updated at: \href{https://github.com/yoshall/Awesome-Trajectory-Computing}{DL4Traj Repo}.

Neutronic calculations for reactors are a daunting task when using Monte Carlo (MC) methods. As high-performance computing has advanced, the simulation of a reactor is nowadays more readily done, but design and optimization with multiple parameters is still a computational challenge. MC transport simulations, coupled with machine learning techniques, offer promising avenues for enhancing the efficiency and effectiveness of nuclear reactor optimization. This paper introduces a novel benchmark problem within the OpenNeoMC framework designed specifically for reinforcement learning. The benchmark involves optimizing a unit cell of a research reactor with two varying parameters (fuel density and water spacing) to maximize neutron flux while maintaining reactor criticality. The test case features distinct local optima, representing different physical regimes, thus posing a challenge for learning algorithms. Through extensive simulations utilizing evolutionary and neuroevolutionary algorithms, we demonstrate the effectiveness of reinforcement learning in navigating complex optimization landscapes with strict constraints. Furthermore, we propose acceleration techniques within the OpenNeoMC framework, including model updating and cross-section usage by RAM utilization, to expedite simulation times. Our findings emphasize the importance of machine learning integration in reactor optimization and contribute to advancing methodologies for addressing intricate optimization challenges in nuclear engineering. The sources of this work are available at our GitHub repository: https://github.com/Scientific-Computing-Lab-NRCN/RLOpenNeoMC

Reinforcement Learning (RL) has been widely applied to many control tasks and substantially improved the performances compared to conventional control methods in many domains where the reward function is well defined. However, for many real-world problems, it is often more convenient to formulate optimization problems in terms of rewards and constraints simultaneously. Optimizing such constrained problems via reward shaping can be difficult as it requires tedious manual tuning of reward functions with several interacting terms. Recent formulations which include constraints mostly require a pre-training phase, which often needs human expertise to collect data or assumes having a sub-optimal policy readily available. We propose a new constrained RL method called CSAC-LB (Constrained Soft Actor-Critic with Log Barrier Function), which achieves competitive performance without any pre-training by applying a linear smoothed log barrier function to an additional safety critic. It implements an adaptive penalty for policy learning and alleviates the numerical issues that are known to complicate the application of the log barrier function method. As a result, we show that with CSAC-LB, we achieve state-of-the-art performance on several constrained control tasks with different levels of difficulty and evaluate our methods in a locomotion task on a real quadruped robot platform.

We propose a latent space dynamics identification method, namely tLaSDI, that embeds the first and second principles of thermodynamics. The latent variables are learned through an autoencoder as a nonlinear dimension reduction model. The latent dynamics are constructed by a neural network-based model that precisely preserves certain structures for the thermodynamic laws through the GENERIC formalism. An abstract error estimate is established, which provides a new loss formulation involving the Jacobian computation of autoencoder. The autoencoder and the latent dynamics are simultaneously trained to minimize the new loss. Computational examples demonstrate the effectiveness of tLaSDI, which exhibits robust generalization ability, even in extrapolation. In addition, an intriguing correlation is empirically observed between a quantity from tLaSDI in the latent space and the behaviors of the full-state solution.

Electric vertical-takeoff and landing (eVTOL) aircraft, recognized for their maneuverability and flexibility, offer a promising alternative to our transportation system. However, the operational effectiveness of these aircraft faces many challenges, such as the delicate balance between energy and time efficiency, stemming from unpredictable environmental factors, including wind fields. Mathematical modeling-based approaches have been adopted to plan aircraft flight path in urban wind fields with the goal to save energy and time costs. While effective, they are limited in adapting to dynamic and complex environments. To optimize energy and time efficiency in eVTOL's flight through dynamic wind fields, we introduce a novel path planning method leveraging deep reinforcement learning. We assess our method with extensive experiments, comparing it to Dijkstra's algorithm -- the theoretically optimal approach for determining shortest paths in a weighted graph, where weights represent either energy or time cost. The results show that our method achieves a graceful balance between energy and time efficiency, closely resembling the theoretically optimal values for both objectives.

This paper introduces CLIPSwarm, a new algorithm designed to automate the modeling of swarm drone formations based on natural language. The algorithm begins by enriching a provided word, to compose a text prompt that serves as input to an iterative approach to find the formation that best matches the provided word. The algorithm iteratively refines formations of robots to align with the textual description, employing different steps for "exploration" and "exploitation". Our framework is currently evaluated on simple formation targets, limited to contour shapes. A formation is visually represented through alpha-shape contours and the most representative color is automatically found for the input word. To measure the similarity between the description and the visual representation of the formation, we use CLIP [1], encoding text and images into vectors and assessing their similarity. Subsequently, the algorithm rearranges the formation to visually represent the word more effectively, within the given constraints of available drones. Control actions are then assigned to the drones, ensuring robotic behavior and collision-free movement. Experimental results demonstrate the system's efficacy in accurately modeling robot formations from natural language descriptions. The algorithm's versatility is showcased through the execution of drone shows in photorealistic simulation with varying shapes. We refer the reader to the supplementary video for a visual reference of the results.

Machine learning potentials (MLPs) offer the potential to accurately model the energy and free energy landscapes of molecules with the precision of quantum mechanics and an efficiency similar to classical simulations. This research focuses on using equivariant graph neural networks MLPs due to their proven effectiveness in modeling equilibrium molecular trajectories. A key issue addressed is the capability of MLPs to accurately predict free energies and transition states by considering both the energy and the diversity of molecular configurations. We examined how the distribution of collective variables (CVs) in the training data affects MLP accuracy in determining the free energy surface (FES) of systems, using Metadynamics simulations for butane and alanine dipeptide (ADP). The study involved training forty-three MLPs, half based on classical molecular dynamics data and the rest on ab initio computed energies. The MLPs were trained using different distributions that aim to replicate hypothetical scenarios of sampled CVs obtained if the underlying FES of the system was unknown. Findings for butane revealed that training data coverage of key FES regions ensures model accuracy regardless of CV distribution. However, missing significant FES regions led to correct potential energy predictions but failed free energy reconstruction. For ADP, models trained on classical dynamics data were notably less accurate, while ab initio-based MLPs predicted potential energy well but faltered on free energy predictions. These results emphasize the challenge of assembling an all-encompassing training set for accurate FES prediction and highlight the importance of understanding the FES in preparing training data. The study points out the limitations of MLPs in free energy calculations, stressing the need for comprehensive data that encompasses the system's full FES for effective model training.

How scanning probe microscopy can be supported by Artificial Intelligence and quantum computing? Institute of Fundamental Technological Research, Polish Academy of Sciences, Pawinskiego 5B, 02-106 Warsaw, Poland; aprego@ippt.pan.pl Abstract--The impact of Artificial Intelligence (AI) is expanding rapidly, revolutionizing both science and society. It is applied to practically all areas of life, science, and technology, including materials science, which continuously needs novel tools for effective materials characterization. One of the widely used techniques is scanning probe microscopy (SPM). SPM has fundamentally changed materials engineering, biology, and chemistry by delivering tools for atomic-precision surface mapping. Besides many advantages, it also has some drawbacks, eg. In this paper, we focus on the potential possibilities for supporting SPM-based measurements, putting emphasis on the application of AI-based algorithms, especially Machine Learning-based algorithms as well as quantum computing (QC). It turned out that AI can be helpful in the experimental processes automation in routine operations, the algorithmic search for good sample regions, and shed light on the structure-property relationships. Thus, it contributes to increasing the efficiency and accuracy of optical nanoscopy scanning probes. Moreover, the combination of AIbased algorithms and QC may have a huge potential to increase the practical application of SPM. The limitations of the AI-QC-based approach were also discussed. Finally, we outline a research path for the improvement of AI-QC-powered SPM. I. INTRODUCTION scanning near field optical microscopy (SNOM) are universal tools for materials' surface characterization. SPM enables to obtain a high-resolution 3D surface profile in a nondestructive measurement.