A surrogate model for particle-in-cell plasma simulations based on a graph neural network is presented. The graph is constructed in such a way as to enable the representation of electromagnetic fields on a fixed spatial grid. The model is applied to simulate beams of electrons in one dimension over a wide range of temperatures, drift momenta and densities, and is shown to reproduce two-stream instabilities - a common and fundamental plasma instability. Qualitatively, the characteristic phase-space mixing of counterpropagating electron beams is observed. Quantitatively, the model's performance is evaluated in terms of the accuracy of its predictions of number density distributions, the electric field, and their Fourier decompositions, particularly the growth rate of the fastest-growing unstable mode, as well as particle position, momentum distributions, energy conservation and run time. The model achieves high accuracy with a time step longer than conventional simulation by two orders of magnitude. This work demonstrates that complex plasma dynamics can be learned and shows promise for the development of fast differentiable simulators suitable for solving forward and inverse problems in plasma physics.

This paper presents a novel approach to evaluating back support exoskeletons (BSEs) in workplace settings addressing the limitations of traditional methods like electromyography (EMG), which are impractical due to their sensitivity to external disturbances and user sweat. Variability in BSE performance among users, often due to joint misalignment and anthropomorphic differences, can lead to discomfort and reduced effectiveness. To overcome these challenges, we propose integrating a compact load cell into the exoskeleton's thigh cuff. This small load cell provides precise force measurements without significantly altering the exoskeleton's kinematics or inertia, enabling real-time assessment of exoskeleton assistance in both laboratory and workplace environments, Experimental validation during load-lifting tasks demonstrated that the load cell effectively captures interface forces between the BSE and human subjects, showing stronger correlations with the user's muscle activity when the BSE provides effective assistance. This innovative sensing interface offers a stable, practical alternative to EMG and respiratory gas measurements, facilitating more accurate and convenient evaluation of BSE performance in real-world industrial and laboratory settings. The proposed method holds promise for enhancing the adoption and effectiveness of BSEs by providing reliable, real-time feedback on their assistance capabilities.

ABSTRACT Natural gas (NG) is relatively a clean source of energy, particularly compared to fossil fuels, and worldwide consumption of NG has been increasing almost linearly in the last two decades. A similar trend can also be seen in Turkey, while another similarity is the high dependence on impor ts for the continuous NG supply. It is crucial to accurately forecast future NG demand (NGD) in Turkey, especially, for import contracts; in this respect, forecasts of monthly NGD for the following year are of utmost importance. In the current study, the h istorical monthly NG consumption data between 2014 and 2024 provided by SOCAR, the local residential NG distribution company for two cities in Turkey, Bursa and Kayseri, was used to determine out - of - sample monthly NGD forecasts for a period of one year and nine months using various time series models, including SARIMA and ETS models, and a novel proposed machine learning method. The proposed method, named Just - in - Time - Learning - Gaussia n Process Regression (JITL - GPR), uses a novel feature representation for t he past NG demand values; instead of using past demand values as column - wise separate features, they are placed on a two - dimensional (2 - D) grid of year - month values. For each test point, a kernel function, tailored for the NGD predictions, is used in GPR t o predict the query point. Since a model is constructed separately for each test point, the proposed method is, indeed, an example of JITL. The JITL - GPR method is easy to use and optimize, and offers a reduction in forecast errors compared to traditional t ime series methods and a state - of - the - art combinat ion model; therefore, it is a promising tool for NGD forecasting in similar settings. INTRODUCTION In the last few decades, there has been a shift in energy sources from fossil fuels to cleaner energy sources, such as wind and solar energy, mainly due to environmental concerns and related government regulations . However, these latter sources are depend ent on w eather conditions and require integration with grid technologies for continuous power generation. Natural gas (NG), typically, consists of (up to) ~95% of methane and 2 - 2.5% ethane - hexane+, with the remain der consist ing of nitrogen, CO NG p ower plants are easy to build and highly reliable, mak ing them invaluable for "clean" energy production. On the other hand, m ost countries depend on imports to maintain t heir NG supplies, and there is a delicate balance between import s and domestic demand . S toring excess import ed gas above actual demand is difficult and would result in economic losses, while import ing less than actual demand could result in a nationwide sh ortage.

The advancement of smart grid technologies necessitates the integration of cutting-edge computational methods to enhance predictive energy optimization. This study proposes a multi-faceted approach by incorporating (1) Deep Reinforcement Learning (DRL) agents trained using data from Digital Twins (DTs) to optimize energy consumption in real time, (2) Physics-Informed Neural Networks (PINNs) to seamlessly embed physical laws within the optimization process, ensuring model accuracy and interpretability, and (3) Blockchain (BC) technology to facilitate secure and transparent communication across the smart grid infrastructure. The model was trained and validated using comprehensive datasets, including smart meter energy consumption data, renewable energy outputs, dynamic pricing, and user preferences collected from IoT devices. The proposed framework achieved superior predictive performance with a Mean Absolute Error (MAE) of 0.237 kWh, Root Mean Square Error (RMSE) of 0.298 kWh, and an R-squared (R2) value of 0.978, indicating a 97.8% explanation of data variance. Classification metrics further demonstrated the model's robustness, achieving 97.7% accuracy, 97.8% precision, 97.6% recall, and an F1 Score of 97.7%. Comparative analysis with traditional models like Linear Regression, Random Forest, SVM, LSTM, and XGBoost revealed the superior accuracy and real-time adaptability of the proposed method. In addition to enhancing energy efficiency, the model reduced energy costs by 35%, maintained a 96% user comfort index, and increased renewable energy utilization to 40%. This study demonstrates the transformative potential of integrating PINNs, DT, and Blockchain technologies to optimize energy consumption in smart grids, paving the way for sustainable, secure, and efficient energy management systems.

--Robotic assistance allows surgeries to be reliably and accurately executed while still under direct supervision of the surgeon, combining the strengths of robotic technology with the surgeon's expertise. This paper describes a robotic system designed to assist in surgical procedures by implementing a virtual drill guide. The controller constrains the tool to the desired axis, while allowing axial motion to remain under the surgeon's control. Compared to prior virtual-fixture approaches--which primarily perform pure energy-shaping and damping injection with linear springs and dampers-our controller uses a virtual prismatic joint to which the robot is constrained by nonlinear springs, allowing us to easily shape the dynamics of the system. We detail the calibration procedures required to achieve sufficient precision, and describe the implementation of the controller . We apply this system to a veterinary procedure: drilling for transcondylar screw placement in dogs. The results of the trials on 3D-printed bone models demonstrate sufficient precision to perform the procedure and suggest improved angular accuracy and reduced exit translation errors compared to patient specific guides (PSG). Discussion and future improvements follow. OBOTIC surgery has many potential advantages for treatment of humeral intracondylar fissure in dogs: these include enhanced precision, accuracy and reliability. We propose a robotic system to assist with drilling in preparation for transcondylar screw placement [1]. The novelty of our approach is to cast the problem into the setting of collaborative robotics: replacing the physical guide with a virtual one, combining the skills of the surgeon with the precision of the robot, and implementing this in an interactive way, not obscured by teleoperation or taken out of the surgeons hands by automation. We ask: can a mechanical drill guide be replaced by a virtual-drill guide, enforced by the robot? How can a controller be designed to implement such a behaviour? Can we show that the performance/accuracy of this system is sufficient and compares favourably to other methods? We will contrast our approach with a state-of-the-art assistive technology: 3D printed Patient-Specific-Guides (PSGs).

-- Reinforcement learning (RL) has achieved remarkable success in various robotic tasks; however, its deployment in real-world scenarios, particularly in contact-rich environments, often overlooks critical safety and stability aspects. Policies without passivity guarantees can result in system instability, posing risks to robots, their environments, and human operators. In this work, we investigate the limitations of traditional RL policies when deployed in contact-rich tasks and explore the combination of energy-based passive control with safe RL in both training and deployment to answer these challenges. Firstly, we introduce energy-based constraints in our safe RL formulation to train passivity-aware RL agents. Secondly, we add a passivity filter on the agent output for passivity-ensured control during deployment. We conduct comparative studies on a contact-rich robotic maze exploration task, evaluating the effects of learning passivity-aware policies and the importance of passivity-ensured control. The experiments demonstrate that a passivity-agnostic RL policy easily violates energy constraints in deployment, even though it achieves high task completion in training. The results show that our proposed approach guarantees control stability through passivity filtering and improves the energy efficiency through passivity-aware training. A video of real-world experiments is available as supplementary material. I. INTRODUCTION In recent years, RL has earned increasing attention and success in addressing complex decision-making and control problems, especially in robotic applications [1]. From manipulation tasks to autonomous navigation, RL offers the potential to achieve unprecedented performance by learning optimal control policies.

I NPUT S PECIFIC N EURAL N ETWORKS A P REPRINT Asghar Jadoon The University of Texas at Austin Austin TX, USA D. Thomas Seidl Sandia National Laboratories Albuquerque NM, USA Reese E. Jones Sandia National Laboratories Livermore CA, USA Jan Fuhg The University of Texas at Austin Austin TX, USA February 2025 Abstract Neural networks have emerged as powerful tools for mapping between inputs and outputs. However, their black-box nature limits the ability to encode or impose specific structural relationships between inputs and outputs. While various studies have introduced architectures that ensure the network's output adheres to a particular form in relation to certain inputs, the majority of these approaches impose constraints on only a single set of inputs, leaving others unconstrained. This paper introduces a novel neural network architecture, termed the Input Specific Neural Network (ISNN), which extends this concept by allowing scalar-valued outputs to be subject to multiple constraints. Specifically, the ISNN can enforce convexity in some inputs, non-decreasing monotonicity combined with convexity with respect to others, and simple non-decreasing monotonicity or arbitrary relationships with additional inputs. To the best of our knowledge, this is the first work that proposes a framework that simultaneously comprehensively imposes all these constraints. The paper presents two distinct ISNN architectures, along with equations for the first and second derivatives of the output with respect to the inputs. These networks are broadly applicable. In this work, we restrict their usage to solving problems in computational mechanics. In particular, we show how they can be effectively applied to fitting data-driven constitutive models. We remark, that due to their increased ability to implicitly model constraints, we can show that ISNNs require fewer inputs than existing input convex neural networks when modeling polyconvex hyperelastic functions. We then embed our trained data-driven constitutive laws into a finite element solver where significant time savings can be achieved by using explicit manual differentiation using the derived equations as opposed to automatic differentiation. Manual differentiation also enables seamless employment of trained ISNNs in commercial solvers where automatic differentiation may not be possible. We also show how ISNNs can be used to learn structural relationships between inputs and outputs via a binary gating mechanism.

We consider the problem of crystal materials generation using language models (LMs). A key step is to convert 3D crystal structures into 1D sequences to be processed by LMs. Prior studies used the crystallographic information framework (CIF) file stream, which fails to ensure SE(3) and periodic invariance and may not lead to unique sequence representations for a given crystal structure. Here, we propose a novel method, known as Mat2Seq, to tackle this challenge. Mat2Seq converts 3D crystal structures into 1D sequences and ensures that different mathematical descriptions of the same crystal are represented in a single unique sequence, thereby provably achieving SE(3) and periodic invariance. Experimental results show that, with language models, Mat2Seq achieves promising performance in crystal structure generation as compared with prior methods.

With the digitalization of power grids, physical equations become insufficient to describe the network's behavior, and realistic but time-consuming simulators must be used. Numerical experiments, such as safety validation, that involve simulating a large number of scenarios become computationally intractable. A popular solution to reduce the computational burden is to learn a surrogate model of the simulator with Machine Learning (ML) and then conduct the experiment directly on the fast-to-evaluate surrogate model. Among the various ML possibilities for building surrogate models, Gaussian processes (GPs) emerged as a popular solution due to their flexibility, data efficiency, and interpretability. Their probabilistic nature enables them to provide both predictions and uncertainty quantification (UQ). This paper starts with a discussion on the interest of using GPs to approximate power grid simulators and fasten numerical experiments. Such simulators, however, often violate the GP's underlying Gaussian assumption, leading to poor approximations. To address this limitation, an approach that consists in adding an adaptive residual uncertainty term to the UQ is proposed. It enables the GP to remain accurate and reliable despite the simulator's non-Gaussian behaviors. This approach is successfully applied to the certification of the proper functioning of a congestion management controller, with over 98% of simulations avoided.

Predicting energy consumption in smart buildings is challenging due to dependencies in sensor data and the variability of environmental conditions. We introduce S4ConvD, a novel convolutional variant of Deep State Space Models (Deep-SSMs), that minimizes reliance on extensive preprocessing steps. S4ConvD is designed to optimize runtime in resource-constrained environments. By implementing adaptive scaling and frequency adjustments, this model shows to capture complex temporal patterns in building energy dynamics. Experiments on the ASHRAE Great Energy Predictor III dataset reveal that S4ConvD outperforms current benchmarks. Additionally, S4ConvD benefits from significant improvements in GPU runtime through the use of Block Tiling optimization techniques. Thus, S4ConvD has the potential for practical deployment in real-time energy modeling. Furthermore, the complete codebase and dataset are accessible on GitHub, fostering open-source contributions and facilitating further research. Our method also promotes resource-efficient model execution, enhancing both energy forecasting and the potential integration of renewable energy sources into smart grid systems.