We study the energy-optimal shortest path problem for electric vehicles (EVs) in large-scale road networks, where recuperated energy along downhill segments introduces negative energy costs. While traditional point-to-point pathfinding algorithms for EVs assume a known initial energy level, many real-world scenarios involving uncertainty in available energy require planning optimal paths for all possible initial energy levels, a task known as energy-optimal profile search. Existing solutions typically rely on specialized profile-merging procedures within a label-correcting framework that results in searching over complex profiles. In this paper, we propose a simple yet effective label-setting approach based on multi-objective A* search, which employs a novel profile dominance rule to avoid generating and handling complex profiles. We develop four variants of our method and evaluate them on real-world road networks enriched with realistic energy consumption data. Experimental results demonstrate that our energy profile A* search achieves performance comparable to energy-optimal A* with a known initial energy level.

The widespread adoption of IoT has driven the development of cyber-physical systems (CPS) in industrial environments, leveraging Industrial IoTs (IIoTs) to automate manufacturing processes and enhance productivity. The transition to autonomous systems introduces significant operational costs, particularly in terms of energy consumption. Accurate modeling and prediction of IIoT energy requirements are critical, but traditional physics- and engineering-based approaches often fall short in addressing these challenges comprehensively. In this paper, we propose a novel methodology for benchmarking and analyzing IIoT devices and applications to uncover insights into their power demands, energy consumption, and performance. To demonstrate this methodology, we develop a comprehensive framework and apply it to study an industrial CPS comprising an educational robotic arm, a conveyor belt, a smart camera, and a compute node. By creating micro-benchmarks and an end-to-end application within this framework, we create an extensive performance and power consumption dataset, which we use to train and analyze ML models for predicting energy usage from features of the application and the CPS system. The proposed methodology and framework provide valuable insights into the energy dynamics of industrial CPS, offering practical implications for researchers and practitioners aiming to enhance the efficiency and sustainability of IIoT-driven automation.

We extend the existing work on Hopfield network state classification, employing more complex models that remain interpretable, such as densely-connected feed-forward deep neural networks and support vector machines. The states of the Hopfield network can be grouped into several classes, including learned (those presented during training), spurious (stable states that were not learned), and prototype (stable states that were not learned but are representative for a subset of learned states). It is often useful to determine to what class a given state belongs to; for example to ignore spurious states when retrieving from the network. Previous research has approached the state classification task with simple linear methods, most notably the stability ratio. We deepen the research on classifying states from prototype-regime Hopfield networks, investigating how varying the factors strengthening prototypes influences the state classification task. We study the generalizability of different classification models when trained on states derived from different prototype tasks -- for example, can a network trained on a Hopfield network with 10 prototypes classify states from a network with 20 prototypes? We find that simple models often outperform the stability ratio while remaining interpretable. These models require surprisingly little training data and generalize exceptionally well to states generated by a range of Hopfield networks, even those that were trained on exceedingly different datasets.

We discuss prototype formation in the Hopfield network. Typically, Hebbian learning with highly correlated states leads to degraded memory performance. We show this type of learning can lead to prototype formation, where unlearned states emerge as representatives of large correlated subsets of states, alleviating capacity woes. This process has similarities to prototype learning in human cognition. We provide a substantial literature review of prototype learning in associative memories, covering contributions from psychology, statistical physics, and computer science. We analyze prototype formation from a theoretical perspective and derive a stability condition for these states based on the number of examples of the prototype presented for learning, the noise in those examples, and the number of non-example states presented. The stability condition is used to construct a probability of stability for a prototype state as the factors of stability change. We also note similarities to traditional network analysis, allowing us to find a prototype capacity. We corroborate these expectations of prototype formation with experiments using a simple Hopfield network with standard Hebbian learning. We extend our experiments to a Hopfield network trained on data with multiple prototypes and find the network is capable of stabilizing multiple prototypes concurrently. We measure the basins of attraction of the multiple prototype states, finding attractor strength grows with the number of examples and the agreement of examples. We link the stability and dominance of prototype states to the energy profile of these states, particularly when comparing the profile shape to target states or other spurious states.

Mission-critical operations, particularly in the context of Search-and-Rescue (SAR) and emergency response situations, demand optimal performance and efficiency from every component involved to maximize the success probability of such operations. In these settings, cellular-enabled collaborative robotic systems have emerged as invaluable assets, assisting first responders in several tasks, ranging from victim localization to hazardous area exploration. However, a critical limitation in the deployment of cellular-enabled collaborative robots in SAR missions is their energy budget, primarily supplied by batteries, which directly impacts their task execution and mobility. This paper tackles this problem, and proposes a search-and-rescue framework for cellular-enabled collaborative robots use cases that, taking as input the area size to be explored, the robots fleet size, their energy profile, exploration rate required and target response time, finds the minimum number of robots able to meet the SAR mission goals and the path they should follow to explore the area. Our results, i) show that first responders can rely on a SAR cellular-enabled robotics framework when planning mission-critical operations to take informed decisions with limited resources, and, ii) illustrate the number of robots versus explored area and response time trade-off depending on the type of robot: wheeled vs quadruped.

However, the rapid adoption of small-scale renewable at the edge of the grid makes the smart grid management process more complex and exposed to uncertainty related to renewable production [1, 2]. The digitization and decentralization principles bring to the forefront the energy demand flexibility as a key support to accommodate high shares of variable renewable energy [3, 4]. Leveraging local flexibility is possible to maintain a balance between supply and demand at lower costs using the energy assets of the citizens rather than the ones owned by the grid operator that are more expensive to operate [5-7]. The challenges are even more evident and difficult to tackle in the context of the increased adoption of electrical vehicles (EVs) [8]. In that respect grid management should closely cooperate and interact within a low latency context with EVs coordination and aggregation services to procure their energy scheduling flexibility to support local network balancing or to achieve self-sufficiency [9, 10]. However, EVs usage has several shortcomings such as the limited battery range, relatively short battery lifespan, averaging 10-20 years or up to 150,000 miles, and the lack of existing infrastructure for charging electric vehicles. Other major issues refer to the impact of EVs on the power grid, encompassing factors such as the rise in short-circuit currents, deviations in voltage levels beyond standard limits, and the potential impact on the lifespan of equipment due to increased power demand [11].

Identifying optimal collective variables to model transformations, using atomic-scale simulations, is a long-standing challenge. We propose a new method for the generation, optimization, and comparison of collective variables, which can be thought of as a data-driven generalization of the path collective variable concept. It consists in a kernel ridge regression of the committor probability, which encodes a transformation's progress. The resulting collective variable is one-dimensional, interpretable, and differentiable, making it appropriate for enhanced sampling simulations requiring biasing. We demonstrate the validity of the method on two different applications: a precipitation model, and the association of Li$^+$ and F$^-$ in water. For the former, we show that global descriptors such as the permutation invariant vector allow to reach an accuracy far from the one achieved \textit{via} simpler, more intuitive variables. For the latter, we show that information correlated with the transformation mechanism is contained in the first solvation shell only, and that inertial effects prevent the derivation of optimal collective variables from the atomic positions only.

The paper introduces an advanced Decentralized Energy Marketplace (DEM) integrating blockchain technology and artificial intelligence to manage energy exchanges among smart homes with energy storage systems. The proposed framework uses Non-Fungible Tokens (NFTs) to represent unique energy profiles in a transparent and secure trading environment. Leveraging Federated Deep Reinforcement Learning (FDRL), the system promotes collaborative and adaptive energy management strategies, maintaining user privacy. A notable innovation is the use of smart contracts, ensuring high efficiency and integrity in energy transactions. Extensive evaluations demonstrate the system's scalability and the effectiveness of the FDRL method in optimizing energy distribution. This research significantly contributes to developing sophisticated decentralized smart grid infrastructures. Our approach broadens potential blockchain and AI applications in sustainable energy systems and addresses incentive alignment and transparency challenges in traditional energy trading mechanisms. The implementation of this paper is publicly accessible at \url{https://github.com/RasoulNik/DEM}.

Machine learning potentials have emerged as a means to enhance the accuracy of biomolecular simulations. However, their application is constrained by the significant computational cost arising from the vast number of parameters compared to traditional molecular mechanics. To tackle this issue, we introduce an optimized implementation of the hybrid method (NNP/MM), which combines neural network potentials (NNP) and molecular mechanics (MM). This approach models a portion of the system, such as a small molecule, using NNP while employing MM for the remaining system to boost efficiency. By conducting molecular dynamics (MD) simulations on various protein-ligand complexes and metadynamics (MTD) simulations on a ligand, we showcase the capabilities of our implementation of NNP/MM. It has enabled us to increase the simulation speed by 5 times and achieve a combined sampling of one microsecond for each complex, marking the longest simulations ever reported for this class of simulation.

The advent of larger machine learning (ML) models have improved state-of-the-art (SOTA) performance in various modeling tasks, ranging from computer vision to natural language. As ML models continue increasing in size, so does their respective energy consumption and computational requirements. However, the methods for tracking, reporting, and comparing energy consumption remain limited. We presentEnergyVis, an interactive energy consumption tracker for ML models. Consisting of multiple coordinated views, EnergyVis enables researchers to interactively track, visualize and compare model energy consumption across key energy consumption and carbon footprint metrics (kWh and CO2), helping users explore alternative deployment locations and hardware that may reduce carbon footprints. EnergyVis aims to raise awareness concerning computational sustainability by interactively highlighting excessive energy usage during model training; and by providing alternative training options to reduce energy usage.