To plan and optimize energy storage demands that account for Li-ion battery aging dynamics, techniques need to be developed to diagnose battery internal states accurately and rapidly. This study seeks to reduce the computational resources needed to determine a battery's internal states by replacing physics-based Li-ion battery models -- such as the single-particle model (SPM) and the pseudo-2D (P2D) model -- with a physics-informed neural network (PINN) surrogate. The surrogate model makes high-throughput techniques, such as Bayesian calibration, tractable to determine battery internal parameters from voltage responses. This manuscript is the first of a two-part series that introduces PINN surrogates of Li-ion battery models for parameter inference (i.e., state-of-health diagnostics). In this first part, a method is presented for constructing a PINN surrogate of the SPM. A multi-fidelity hierarchical training, where several neural nets are trained with multiple physics-loss fidelities is shown to significantly improve the surrogate accuracy when only training on the governing equation residuals. The implementation is made available in a companion repository (https://github.com/NREL/pinnstripes). The techniques used to develop a PINN surrogate of the SPM are extended in Part II for the PINN surrogate for the P2D battery model, and explore the Bayesian calibration capabilities of both surrogates.

ABSTRACT Recent advances in machine learning (ML) have expedited materials discovery and design. One significant challenge faced in ML for materials is the expansive combinatorial space of potential materials formed by diverse constituents and their flexible configurations. This complexity is particularly evident in molecular mixtures, a frequently explored space for materials such as battery electrolytes. Owing to the complex structures of molecules and the sequence-independent nature of mixtures, conventional ML methods have difficulties in modeling such systems. Representing individual molecules as graphs and their mixture as a set, MolSets leverages a graph neural network and the deep sets architecture to extract information at the molecule level and aggregate it at the mixture level, thus addressing local complexity while retaining global flexibility. We demonstrate the efficacy of MolSets in predicting the conductivity of lithium battery electrolytes and highlight its benefits in virtual screening of the combinatorial chemical space.

This paper proposes a novel design on the wireless powered communication network (WPCN) in dynamic environments under the assistance of multiple unmanned aerial vehicles (UAVs). Unlike the existing studies, where the low-power wireless nodes (WNs) often conform to the coherent harvest-then-transmit protocol, under our newly proposed double-threshold based WN type updating rule, each WN can dynamically and repeatedly update its WN type as an E-node for non-linear energy harvesting over time slots or an I-node for transmitting data over sub-slots. To maximize the total transmission data size of all the WNs over T slots, each of the UAVs individually determines its trajectory and binary wireless energy transmission (WET) decisions over times slots and its binary wireless data collection (WDC) decisions over sub-slots, under the constraints of each UAV's limited on-board energy and each WN's node type updating rule. However, due to the UAVs' tightly-coupled trajectories with their WET and WDC decisions, as well as each WN's time-varying battery energy, this problem is difficult to solve optimally. We then propose a new multi-agent based hierarchical deep reinforcement learning (MAHDRL) framework with two tiers to solve the problem efficiently, where the soft actor critic (SAC) policy is designed in tier-1 to determine each UAV's continuous trajectory and binary WET decision over time slots, and the deep-Q learning (DQN) policy is designed in tier-2 to determine each UAV's binary WDC decisions over sub-slots under the given UAV trajectory from tier-1. Both of the SAC policy and the DQN policy are executed distributively at each UAV. Finally, extensive simulation results are provided to validate the outweighed performance of the proposed MAHDRL approach over various state-of-the-art benchmarks.

Abstract-- We present a novel pneumatic augmentation to traditional electric motor-actuated legged robot to increase intermittent power density to perform infrequent explosive hopping behaviors. The pneumatic system is composed of a pneumatic pump, a tank, and a pneumatic actuator. The tank is charged up by the pump during regular hopping motion that is created by the electric motors. At any time after reaching a desired air pressure in the tank, a solenoid valve is utilized to rapidly release the air pressure to the pneumatic actuator (piston) which is used in conjunction with the electric motors to perform explosive hopping, increasing maximum hopping height for one or subsequent cycles. We show that, on a customdesigned one-legged hopping robot, without any additional power source and with this novel pneumatic augmentation system, their associated system identification and optimal control, the robot is able to realize highly explosive hopping with power amplification per cycle by a factor of approximately 5.4 times the power of electric motor actuation alone.

Accurately predicting lithium-ion batteries (LIBs) lifespan is pivotal for optimizing usage and preventing accidents. Previous approaches often relied on inputs challenging to measure in real-time, and failed to capture intra- and inter-cycle data patterns simultaneously. Our study employ attention mechanisms (AM) to develop data-driven models predicting LIB lifespan using easily measurable inputs. Developed model integrates recurrent neural network and convolutional neural network, featuring two types of AMs: temporal attention (TA) and cyclic attention (CA). TA identifies important time steps within each cycle, CA strives to capture key features of inter-cycle correlations through self-attention (SA). We apply the developed model to publicly available data consisting of three batches of cycling modes. TA scores highlight the rest phase as a key characteristic to distinguish different batches. By leveraging CA scores, we decreased the input dimension from 100 cycles to 50 and 30 cycles with single- and multi-head attention.

As the use of Lithium-ion batteries continues to grow, it becomes increasingly important to be able to predict their remaining useful life. This work aims to compare the relative performance of different machine learning algorithms, both traditional machine learning and deep learning, in order to determine the best-performing algorithms for battery cycle life prediction based on minimal data. We investigated 14 different machine learning models that were fed handcrafted features based on statistical data and split into 3 feature groups for testing. For deep learning models, we tested a variety of neural network models including different configurations of standard Recurrent Neural Networks, Gated Recurrent Units, and Long Short Term Memory with and without attention mechanism. Deep learning models were fed multivariate time series signals based on the raw data for each battery across the first 100 cycles. Our experiments revealed that the machine learning algorithms on handcrafted features performed particularly well, resulting in 10-20% average mean absolute percentage error. The best-performing algorithm was the Random Forest Regressor, which gave a minimum 9.8% mean absolute percentage error. Traditional machine learning models excelled due to their capability to comprehend general data set trends. In comparison, deep learning models were observed to perform particularly poorly on raw, limited data. Algorithms like GRU and RNNs that focused on capturing medium-range data dependencies were less adept at recognizing the gradual, slow trends critical for this task. Our investigation reveals that implementing machine learning models with hand-crafted features proves to be more effective than advanced deep learning models for predicting the remaining useful Lithium-ion battery life with limited data availability.

Battery degradation remains a pivotal concern in the energy storage domain, with machine learning emerging as a potent tool to drive forward insights and solutions. However, this intersection of electrochemical science and machine learning poses complex challenges. Machine learning experts often grapple with the intricacies of battery science, while battery researchers face hurdles in adapting intricate models tailored to specific datasets. Beyond this, a cohesive standard for battery degradation modeling, inclusive of data formats and evaluative benchmarks, is conspicuously absent. Recognizing these impediments, we present BatteryML - a one-step, all-encompass, and open-source platform designed to unify data preprocessing, feature extraction, and the implementation of both traditional and state-of-the-art models. This streamlined approach promises to enhance the practicality and efficiency of research applications. BatteryML seeks to fill this void, fostering an environment where experts from diverse specializations can collaboratively contribute, thus elevating the collective understanding and advancement of battery research.The code for our project is publicly available on GitHub at https://github.com/microsoft/BatteryML.

Shape-morphing capabilities are crucial for enabling multifunctionality in both biological and artificial systems. Various strategies for shape morphing have been proposed for applications in metamaterials and robotics. However, few of these approaches have achieved the ability to seamlessly transform into a multitude of volumetric shapes post-fabrication using a relatively simple actuation and control mechanism. Taking inspiration from thick origami and hierarchies in nature, we present a new hierarchical construction method based on polyhedrons to create an extensive library of compact origami metastructures. We show that a single hierarchical origami structure can autonomously adapt to over 103 versatile architectural configurations, achieved with the utilization of fewer than 3 actuation degrees of freedom and employing simple transition kinematics. We uncover the fundamental principles governing theses shape transformation through theoretical models. Furthermore, we also demonstrate the wide-ranging potential applications of these transformable hierarchical structures. These include their uses as untethered and autonomous robotic transformers capable of various gait-shifting and multidirectional locomotion, as well as rapidly self-deployable and self-reconfigurable architecture, exemplifying its scalability up to the meter scale. Lastly, we introduce the concept of multitask reconfigurable and deployable space robots and habitats, showcasing the adaptability and versatility of these metastructures.

Combining machine learning with physics is a trending approach for discovering unknown dynamics, and one of the most intensively studied frameworks is the physics-informed neural network (PINN). However, PINN often fails to optimize the network due to its difficulty in concurrently minimizing multiple losses originating from the system's governing equations. This problem can be more serious when the system's states are unmeasurable, like lithium-ion batteries (LiBs). In this work, we introduce a robust method for training PINN that uses fewer loss terms and thus constructs a less complex landscape for optimization. In particular, instead of having loss terms from each differential equation, this method embeds the dynamics into a loss function that quantifies the error between observed and predicted system outputs. This is accomplished by numerically integrating the predicted states from the neural network(NN) using known dynamics and transforming them to obtain a sequence of predicted outputs. Minimizing such a loss optimizes the NN to predict states consistent with observations given the physics. Further, the system's parameters can be added to the optimization targets. To demonstrate the ability of this method to perform various modeling and control tasks, we apply it to a battery model to concurrently estimate its states and parameters.

Accurately predicting the lifetime of battery cells in early cycles holds tremendous value for battery research and development as well as numerous downstream applications. This task is rather challenging because diverse conditions, such as electrode materials, operating conditions, and working environments, collectively determine complex capacity-degradation behaviors. However, current prediction methods are developed and validated under limited aging conditions, resulting in questionable adaptability to varied aging conditions and an inability to fully benefit from historical data collected under different conditions. Here we introduce a universal deep learning approach that is capable of accommodating various aging conditions and facilitating effective learning under low-resource conditions by leveraging data from rich conditions. Our key finding is that incorporating inter-cell feature differences, rather than solely considering single-cell characteristics, significantly increases the accuracy of battery lifetime prediction and its cross-condition robustness. Accordingly, we develop a holistic learning framework accommodating both single-cell and inter-cell modeling. A comprehensive benchmark is built for evaluation, encompassing 401 battery cells utilizing 5 prevalent electrode materials across 168 cycling conditions. We demonstrate remarkable capabilities in learning across diverse aging conditions, exclusively achieving 10% prediction error using the first 100 cycles, and in facilitating low-resource learning, almost halving the error of single-cell modeling in many cases. More broadly, by breaking the learning boundaries among different aging conditions, our approach could significantly accelerate the development and optimization of lithium-ion batteries.