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AQ-PINNs: Attention-Enhanced Quantum Physics-Informed Neural Networks for Carbon-Efficient Climate Modeling

arXiv.org Artificial Intelligence

The growing computational demands of artificial intelligence (AI) in addressing climate change raise significant concerns about inefficiencies and environmental impact, as highlighted by the Jevons paradox. We propose an attention-enhanced quantum physics-informed neural networks model (AQ-PINNs) to tackle these challenges. This approach integrates quantum computing techniques into physics-informed neural networks (PINNs) for climate modeling, aiming to enhance predictive accuracy in fluid dynamics governed by the Navier-Stokes equations while reducing the computational burden and carbon footprint. By harnessing variational quantum multi-head self-attention mechanisms, our AQ-PINNs achieve a 51.51% reduction in model parameters compared to classical multi-head self-attention methods while maintaining comparable convergence and loss. It also employs quantum tensor networks to enhance representational capacity, which can lead to more efficient gradient computations and reduced susceptibility to barren plateaus. Our AQ-PINNs represent a crucial step towards more sustainable and effective climate modeling solutions.


ReKep: Spatio-Temporal Reasoning of Relational Keypoint Constraints for Robotic Manipulation

arXiv.org Artificial Intelligence

Representing robotic manipulation tasks as constraints that associate the robot and the environment is a promising way to encode desired robot behaviors. However, it remains unclear how to formulate the constraints such that they are 1) versatile to diverse tasks, 2) free of manual labeling, and 3) optimizable by off-the-shelf solvers to produce robot actions in real-time. In this work, we introduce Relational Keypoint Constraints (ReKep), a visually-grounded representation for constraints in robotic manipulation. Specifically, ReKep is expressed as Python functions mapping a set of 3D keypoints in the environment to a numerical cost. We demonstrate that by representing a manipulation task as a sequence of Relational Keypoint Constraints, we can employ a hierarchical optimization procedure to solve for robot actions (represented by a sequence of end-effector poses in SE(3)) with a perception-action loop at a real-time frequency. Furthermore, in order to circumvent the need for manual specification of ReKep for each new task, we devise an automated procedure that leverages large vision models and vision-language models to produce ReKep from free-form language instructions and RGB-D observations. We present system implementations on a wheeled single-arm platform and a stationary dual-arm platform that can perform a large variety of manipulation tasks, featuring multi-stage, in-the-wild, bimanual, and reactive behaviors, all without task-specific data or environment models. Website at https://rekep-robot.github.io.


Machine Learning Applications to Computational Plasma Physics and Reduced-Order Plasma Modeling: A Perspective

arXiv.org Artificial Intelligence

Machine learning (ML) provides a broad spectrum of tools and architectures that enable the transformation of data from simulations and experiments into useful and explainable science, thereby augmenting domain knowledge. Furthermore, ML-enhanced numerical modelling can revamp scientific computing for real-world complex engineering systems, creating unique opportunities to examine the operation of the technologies in detail and automate their optimization and control. In recent years, ML applications have seen significant growth across various scientific domains, particularly in fluid mechanics, where ML has shown great promise in enhancing computational modeling of fluid flows. In contrast, ML applications in numerical plasma physics research remain relatively limited in scope and extent. Despite this, the close relationship between fluid mechanics and plasma physics presents a valuable opportunity to create a roadmap for transferring ML advances in fluid flow modeling to computational plasma physics. This Perspective aims to outline such a roadmap. We begin by discussing some general fundamental aspects of ML, including the various categories of ML algorithms and the different types of problems that can be solved with the help of ML. With regard to each problem type, we then present specific examples from the use of ML in computational fluid dynamics, reviewing several insightful prior efforts. We also review recent ML applications in plasma physics for each problem type. The paper discusses promising future directions and development pathways for ML in plasma modelling within the different application areas. Additionally, we point out prominent challenges that must be addressed to realize ML's full potential in computational plasma physics, including the need for cost-effective high-fidelity simulation tools for extensive data generation.


Surface Flux Transport Modelling using Physics Informed Neural Networks

arXiv.org Artificial Intelligence

ABSTRACT Studying the magnetic field properties on the solar surface is crucial for understanding the solar and heliospheric activities, which in turn shape space weather in the solar system. Surface Flux Transport (SFT) modelling helps us to simulate and analyse the transport and evolution of magnetic flux on the solar surface, providing valuable insights into the mechanisms responsible for solar activity. In this work, we demonstrate the use of machine learning techniques in solving magnetic flux transport, making it accurate. We have developed a novel Physics-Informed Neural Networks (PINNs)-based model to study the evolution of Bipolar Magnetic Regions (BMRs) using SFT in one-dimensional azimuthally averaged and also in two-dimensions. We demonstrate the efficiency and computational feasibility of our PINNs-based model by comparing its performance and accuracy with that of a numerical model implemented using the Runge-Kutta Implicit-Explicit (RK-IMEX) scheme. The mesh-independent PINNs method can be used to reproduce the observed polar magnetic field with better flux conservation. This advancement is important for accurately reproducing observed polar magnetic fields, thereby providing insights into the strength of future solar cycles. This work paves the way for more efficient and accurate simulations of solar magnetic flux transport and showcases the applicability of PINNs in solving advection-diffusion equations with a particular focus on heliophysics. INTRODUCTION The dynamic processes on the solar surface exert a significant influence on the magnetic properties of the Sun. It is widely accepted that the generation of magnetic fields in the convection zone is the result of a dynamo mechanism (Petrovay 2000; Ossendrijver 2003; Nandy 2009; Choudhuri 2011, 2014; Charbonneau 2020). Solar active regions (AR) represent areas on the Sun's surface exhibiting intense magnetic activity. They often manifest as dark patches known as sunspots (Solanki 1993; Ruzmaikin 2001; Solanki 2003; Weiss 2006). These regions form as a result of strong toroidal flux tubes rising through the convection zone and emerging as Bipolar Magnetic Regions (BMRs) on the photosphere. Eventually, differential rotation comes into play and disrupts the poloidal field, giving rise to a toroidal field, and thereby the cycle continues (Fan 2009; Stein 2012; Cheung et al. 2016; Charbonneau 2020).


State and Action Factorization in Power Grids

arXiv.org Artificial Intelligence

The increase of renewable energy generation towards the zero-emission target is making the problem of controlling power grids more and more challenging. The recent series of competitions Learning To Run a Power Network (L2RPN) have encouraged the use of Reinforcement Learning (RL) for the assistance of human dispatchers in operating power grids. All the solutions proposed so far severely restrict the action space and are based on a single agent acting on the entire grid or multiple independent agents acting at the substations level. In this work, we propose a domain-agnostic algorithm that estimates correlations between state and action components entirely based on data. Highly correlated state-action pairs are grouped together to create simpler, possibly independent subproblems that can lead to distinct learning processes with less computational and data requirements. The algorithm is validated on a power grid benchmark obtained with the Grid2Op simulator that has been used throughout the aforementioned competitions, showing that our algorithm is in line with domain-expert analysis. Based on these results, we lay a theoretically-grounded foundation for using distributed reinforcement learning in order to improve the existing solutions.


Brain-Inspired Online Adaptation for Remote Sensing with Spiking Neural Network

arXiv.org Artificial Intelligence

On-device computing, or edge computing, is becoming increasingly important for remote sensing, particularly in applications like deep network-based perception on on-orbit satellites and unmanned aerial vehicles (UAVs). In these scenarios, two brain-like capabilities are crucial for remote sensing models: (1) high energy efficiency, allowing the model to operate on edge devices with limited computing resources, and (2) online adaptation, enabling the model to quickly adapt to environmental variations, weather changes, and sensor drift. This work addresses these needs by proposing an online adaptation framework based on spiking neural networks (SNNs) for remote sensing. Starting with a pretrained SNN model, we design an efficient, unsupervised online adaptation algorithm, which adopts an approximation of the BPTT algorithm and only involves forward-in-time computation that significantly reduces the computational complexity of SNN adaptation learning. Besides, we propose an adaptive activation scaling scheme to boost online SNN adaptation performance, particularly in low time-steps. Furthermore, for the more challenging remote sensing detection task, we propose a confidence-based instance weighting scheme, which substantially improves adaptation performance in the detection task. To our knowledge, this work is the first to address the online adaptation of SNNs. Extensive experiments on seven benchmark datasets across classification, segmentation, and detection tasks demonstrate that our proposed method significantly outperforms existing domain adaptation and domain generalization approaches under varying weather conditions. The proposed method enables energy-efficient and fast online adaptation on edge devices, and has much potential in applications such as remote perception on on-orbit satellites and UAV.


Chemical Reaction Neural Networks for Fitting Accelerating Rate Calorimetry Data

arXiv.org Artificial Intelligence

Thermal runaway in battery packs is a major safety concern for commercial applications such as electric vehicles, potentially leading to catastrophic outcomes like battery pack fires. This phenomenon occurs due to thermal abuse conditions that lead to exothermic degradation reactions of battery components, such as anode decomposition, cathode conversion, SEI decomposition, and electrolyte breakdown[1, 2]. Typical thermal abuse failure modes include, but are not limited to, physical damage, internal short circuits, overcharging, or overheating (e.g., extreme temperature exposure)[1]. The heat released under such conditions, when a cell or group of cells fails, can lead to a chain reaction where adjacent cells enter a self-heating state and undergo thermal runaway[3]. This propagation can consume an entire battery module or pack. These safety concerns are even more pressing in today's electrification environment, particularly as the industry moves towards higher power and energy density cells[1, 4]. To address these concerns, cell and pack manufacturers must adhere to strict safety protocols to avoid catastrophic outcomes. Simulation-driven design offers a platform to optimize designs and aid in the prevention and mitigation of thermal runaway. For example, thermal analysis of novel heat shield materials can be conducted efficiently to understand their effectiveness at mitigating propagation.


When Digital Twin Meets 6G: Concepts, Obstacles, and Research Prospects

arXiv.org Artificial Intelligence

The convergence of digital twin technology and the emerging 6G network presents both challenges and numerous research opportunities. This article explores the potential synergies between digital twin and 6G, highlighting the key challenges and proposing fundamental principles for their integration. We discuss the unique requirements and capabilities of digital twin in the context of 6G networks, such as sustainable deployment, real-time synchronization, seamless migration, predictive analytic, and closed-loop control. Furthermore, we identify research opportunities for leveraging digital twin and artificial intelligence to enhance various aspects of 6G, including network optimization, resource allocation, security, and intelligent service provisioning. This article aims to stimulate further research and innovation at the intersection of digital twin and 6G, paving the way for transformative applications and services in the future.


Three-dimensional geometric resolution of the inverse kinematics of a 7 degree of freedom articulated arm

arXiv.org Artificial Intelligence

This work presents a three-dimensional geometric resolution method to calculate the complete inverse kinematics of a 7-degree-of-freedom articulated arm, including the hand itself. The method is classified as an analytical method with geometric solution, since it obtains a precise solution in a closed number of steps, converting the inverse kinematic problem into a three-dimensional geometric model. To simplify the problem, the kinematic decoupling method is used, so that the position of the wrist is calculated independently on one hand with information on the orientation of the hand, and the angles of the rest of the arm are calculated from the wrist.


Improving Electrolyte Performance for Target Cathode Loading Using Interpretable Data-Driven Approach

arXiv.org Artificial Intelligence

Higher loading of active electrode materials is desired in batteries, especially those based on conversion reactions, for enhanced energy density and cost efficiency. However, increasing active material loading in electrodes can cause significant performance depreciation due to internal resistance, shuttling, and parasitic side reactions, which can be alleviated to a certain extent by a compatible design of electrolytes. In this work, a data-driven approach is leveraged to find a high-performing electrolyte formulation for a novel interhalogen battery custom to the target cathode loading. An electrolyte design consisting of 4 solvents and 4 salts is experimentally devised for a novel interhalogen battery based on a multi-electron redox reaction. The experimental dataset with variable electrolyte compositions and active cathode loading, is used to train a graph-based deep learning model mapping changing variables in the battery's material design to its specific capacity. The trained model is used to further optimize the electrolyte formulation compositions for enhancing the battery capacity at a target cathode loading by a two-fold approach: large-scale screening and interpreting electrolyte design principles for different cathode loadings. The data-driven approach is demonstrated to bring about an additional 20% increment in the specific capacity of the battery over capacities obtained from the experimental optimization.