Advanced computational methods are being actively sought for addressing the challenges associated with discovery and development of new combinatorial material such as formulations. A widely adopted approach involves domain informed high-throughput screening of individual components that can be combined into a formulation. This manages to accelerate the discovery of new compounds for a target application but still leave the process of identifying the right 'formulation' from the shortlisted chemical space largely a laboratory experiment-driven process. We report a deep learning model, Formulation Graph Convolution Network (F-GCN), that can map structure-composition relationship of the individual components to the property of liquid formulation as whole. Multiple GCNs are assembled in parallel that featurize formulation constituents domain-intuitively on the fly. The resulting molecular descriptors are scaled based on respective constituent's molar percentage in the formulation, followed by formalizing into a combined descriptor that represents a complete formulation to an external learning architecture. The use case of proposed formulation learning model is demonstrated for battery electrolytes by training and testing it on two exemplary datasets representing electrolyte formulations vs battery performance -- one dataset is sourced from literature about Li/Cu half-cells, while the other is obtained by lab-experiments related to lithium-iodide full-cell chemistry. The model is shown to predict the performance metrics like Coulombic Efficiency (CE) and specific capacity of new electrolyte formulations with lowest reported errors. The best performing F-GCN model uses molecular descriptors derived from molecular graphs that are informed with HOMO-LUMO and electric moment properties of the molecules using a knowledge transfer technique.

An accurate estimation of the state of health (SOH) of batteries is critical to ensuring the safe and reliable operation of electric vehicles (EVs). Feature-based machine learning methods have exhibited enormous potential for rapidly and precisely monitoring battery health status. However, simultaneously using various health indicators (HIs) may weaken estimation performance due to feature redundancy. Furthermore, ignoring real-world driving behaviors can lead to inaccurate estimation results as some features are rarely accessible in practical scenarios. To address these issues, we proposed a feature-based machine learning pipeline for reliable battery health monitoring, enabled by evaluating the acquisition probability of features under real-world driving conditions. We first summarized and analyzed various individual HIs with mechanism-related interpretations, which provide insightful guidance on how these features relate to battery degradation modes. Moreover, all features were carefully evaluated and screened based on estimation accuracy and correlation analysis on three public battery degradation datasets. Finally, the scenario-based feature fusion and acquisition probability-based practicality evaluation method construct a useful tool for feature extraction with consideration of driving behaviors. This work highlights the importance of balancing the performance and practicality of HIs during the development of feature-based battery health monitoring algorithms.

Large language models (LLMs) have demonstrated great potential in natural language processing tasks within the financial domain. In this work, we present a Chinese Financial Generative Pre-trained Transformer framework, named CFGPT, which includes a dataset~(CFData) for pre-training and supervised fine-tuning, a financial LLM~(CFLLM) to adeptly manage financial texts, and a deployment framework~(CFAPP) designed to navigate real-world financial applications. The CFData comprising both a pre-training dataset and a supervised fine-tuning dataset, where the pre-training dataset collates Chinese financial data and analytics, alongside a smaller subset of general-purpose text with 584M documents and 141B tokens in total, and the supervised fine-tuning dataset is tailored for six distinct financial tasks, embodying various facets of financial analysis and decision-making with 1.5M instruction pairs and 1.5B tokens in total. The CFLLM, which is based on InternLM-7B to balance the model capability and size, is trained on CFData in two stage, continued pre-training and supervised fine-tuning. The CFAPP is centered on large language models (LLMs) and augmented with additional modules to ensure multifaceted functionality in real-world application. Our codes are released at https://github.com/TongjiFinLab/CFGPT.

Battery health assessment and recuperation play a crucial role in the utilization of second-life Li-ion batteries. However, due to ambiguous aging mechanisms and lack of correlations between the recovery effects and operational states, it is challenging to accurately estimate battery health and devise a clear strategy for cell rejuvenation. This paper presents aging and reconditioning experiments of 62 commercial high-energy type lithium iron phosphate (LFP) cells, which supplement existing datasets of high-power LFP cells. The relatively large-scale data allow us to use machine learning models to predict cycle life and identify important indicators of recoverable capacity. Considering cell-to-cell inconsistencies, an average test error of $16.84\% \pm 1.87\%$ (mean absolute percentage error) for cycle life prediction is achieved by gradient boosting regressor given information from the first 80 cycles. In addition, it is found that some of the recoverable lost capacity is attributed to the lateral lithium non-uniformity within the electrodes. An equivalent circuit model is built and experimentally validated to demonstrate how such non-uniformity can be accumulated, and how it can give rise to recoverable capacity loss. SHapley Additive exPlanations (SHAP) analysis also reveals that battery operation history significantly affects the capacity recovery.

Kurt "The Cyberguy" Knutsson explains how the new Apollo humanoid can potentially be the end of jobs as we know it. Are we living in the future? Are the robots taking over? No … but for Austin-based startup Apptronik, robots are being developed and are here to stay. Meet Apollo: Apptronik's latest "general purpose humanoid robot" powered by artificial intelligence (AI).

Batteries are an essential component in a deeply decarbonized future. Understanding battery performance and "useful life" as a function of design and use is of paramount importance to accelerating adoption. Historically, battery state of health (SOH) was summarized by a single parameter, the fraction of a battery's capacity relative to its initial state. A more useful approach, however, is a comprehensive characterization of its state and complexities, using an interrelated set of descriptors including capacity, energy, ionic and electronic impedances, open circuit voltages, and microstructure metrics. Indeed, predicting across an extensive suite of properties as a function of battery use is a "holy grail" of battery science; it can provide unprecedented insights toward the design of better batteries with reduced experimental effort, and de-risking energy storage investments that are necessary to meet CO2 reduction targets. In this work, we present a first step in that direction via deep transformer networks for the prediction of 28 battery state of health descriptors using two cycling datasets representing six lithium-ion cathode chemistries (LFP, NMC111, NMC532, NMC622, HE5050, and 5Vspinel), multiple electrolyte/anode compositions, and different charge-discharge scenarios. The accuracy of these predictions versus battery life (with an unprecedented mean absolute error of 19 cycles in predicting end of life for an LFP fast-charging dataset) illustrates the promise of deep learning towards providing deeper understanding and control of battery health.

A robot powered by tiny explosions can jump 20 times its own length and carry 22 times its own weight. Its makers say it could be produced cheaply in bulk and is ideal for search-and-rescue missions or even exploring other planets. Most robots are powered by electric motors and batteries, which are reliable, tried-and-tested technologies, but can't be miniaturised past a certain point. Robert Shepherd at Cornell University in New York and his colleagues have turned instead methane, a chemical fuel that can store energy at a much higher density than lithium-ion batteries and be scaled down to tiny insect-sized devices. The team created an actuator with a 3D-printed combustion chamber that weighs just 325 milligrams.

For Prognostics and Health Management (PHM) of Lithium-ion (Li-ion) batteries, many models have been established to characterize their degradation process. The existing empirical or physical models can reveal important information regarding the degradation dynamics. However, there are no general and flexible methods to fuse the information represented by those models. Physics-Informed Neural Network (PINN) is an efficient tool to fuse empirical or physical dynamic models with data-driven models. To take full advantage of various information sources, we propose a model fusion scheme based on PINN. It is implemented by developing a semi-empirical semi-physical Partial Differential Equation (PDE) to model the degradation dynamics of Li-ion batteries. When there is little prior knowledge about the dynamics, we leverage the data-driven Deep Hidden Physics Model (DeepHPM) to discover the underlying governing dynamic models. The uncovered dynamics information is then fused with that mined by the surrogate neural network in the PINN framework. Moreover, an uncertainty-based adaptive weighting method is employed to balance the multiple learning tasks when training the PINN. The proposed methods are verified on a public dataset of Li-ion Phosphate (LFP)/graphite batteries.

Lithium-ion (Li-ion) batteries are the primary power source in various applications due to their high energy and power density. Their market was estimated to be up to 48 billion U.S. dollars in 2022. However, the widespread adoption of Li-ion batteries has resulted in counterfeit cell production, which can pose safety hazards to users. Counterfeit cells can cause explosions or fires, and their prevalence in the market makes it difficult for users to detect fake cells. Indeed, current battery authentication methods can be susceptible to advanced counterfeiting techniques and are often not adaptable to various cells and systems. In this paper, we improve the state of the art on battery authentication by proposing two novel methodologies, DCAuth and EISthentication, which leverage the internal characteristics of each cell through Machine Learning models. Our methods automatically authenticate lithium-ion battery models and architectures using data from their regular usage without the need for any external device. They are also resilient to the most common and critical counterfeit practices and can scale to several batteries and devices. To evaluate the effectiveness of our proposed methodologies, we analyze time-series data from a total of 20 datasets that we have processed to extract meaningful features for our analysis. Our methods achieve high accuracy in battery authentication for both architectures (up to 0.99) and models (up to 0.96). Moreover, our methods offer comparable identification performances. By using our proposed methodologies, manufacturers can ensure that devices only use legitimate batteries, guaranteeing the operational state of any system and safety measures for the users.

In this paper, we present a physics-informed neural network (PINN) approach for predicting the performance of an all-vanadium redox flow battery, with its physics constraints enforced by a two-dimensional (2D) mathematical model. The 2D model, which includes 6 governing equations and 24 boundary conditions, provides a detailed representation of the electrochemical reactions, mass transport and hydrodynamics occurring inside the redox flow battery. To solve the 2D model with the PINN approach, a composite neural network is employed to approximate species concentration and potentials; the input and output are normalized according to prior knowledge of the battery system; the governing equations and boundary conditions are first scaled to an order of magnitude around 1, and then further balanced with a self-weighting method. Our numerical results show that the PINN is able to predict cell voltage correctly, but the prediction of potentials shows a constant-like shift. To fix the shift, the PINN is enhanced by further constrains derived from the current collector boundary. Finally, we show that the enhanced PINN can be even further improved if a small number of labeled data is available.