Fast and reliable validation of novel designs in complex physical systems such as batteries is critical to accelerating technological innovation. However, battery research and development remain bottlenecked by the prohibitively high time and energy costs required to evaluate numerous new design candidates, particularly in battery prototyping and life testing. Despite recent progress in data-driven battery lifetime prediction, existing methods require labeled data of target designs to improve accuracy and cannot make reliable predictions until after prototyping, thus falling far short of the efficiency needed to enable rapid feedback for battery design. Here, we introduce Discovery Learning (DL), a scientific machine-learning paradigm that integrates active learning, physics-guided learning, and zero-shot learning into a human-like reasoning loop, drawing inspiration from learning theories in educational psychology. DL can learn from historical battery designs and actively reduce the need for prototyping, thus enabling rapid lifetime evaluation for unobserved material-design combinations without requiring additional data labeling. To test DL, we present 123 industrial-grade large-format lithium-ion pouch cells, spanning eight material-design combinations and diverse cycling protocols. Trained solely on public datasets of small-capacity cylindrical cells, DL achieves 7.2% test error in predicting the average cycle life under unknown device variability. This results in savings of 98% in time and 95% in energy compared to industrial practices. This work highlights the potential of uncovering insights from historical designs to inform and accelerate the development of next-generation battery technologies. DL represents a key advance toward efficient data-driven modeling and helps realize the promise of machine learning for accelerating scientific discovery and engineering innovation.

Diverse usage patterns induce complex and variable aging behaviors in lithium-ion batteries, complicating accurate health diagnosis and prognosis. Separate diagnostic cycles are often used to untangle the battery's current state of health from prior complex aging patterns. However, these same diagnostic cycles alter the battery's degradation trajectory, are time-intensive, and cannot be practically performed in onboard applications. In this work, we leverage portions of operational measurements in combination with an interpretable machine learning model to enable rapid, onboard battery health diagnostics and prognostics without offline diagnostic testing and the requirement of historical data. We integrate mechanistic constraints within an encoder-decoder architecture to extract electrode states in a physically interpretable latent space and enable improved reconstruction of the degradation path. The health diagnosis model framework can be flexibly applied across diverse application interests with slight fine-tuning. We demonstrate the versatility of this model framework by applying it to three battery-cycling datasets consisting of 422 cells under different operating conditions, highlighting the utility of an interpretable diagnostic-free, onboard battery diagnosis and prognosis model.

Accurate lifetime prediction of lithium-ion batteries accelerates battery optimization and improves safety [1-4]. Although this task is challenging due to complicated and convolved degradation mechanisms, various studies have demonstrated the potential in using data-driven approaches [5-13], physics-based approaches [14-18], and hybrid approaches [19-26]. For accurate battery health monitoring, diagnostic techniques such as Differential Voltage Fitting (DVF) [27-30], Incremental Capacity Analysis (ICA) [31, 32], Electrochemical Impedance Spectroscopy (EIS) [10, 33-35], and Hybrid Pulse Power Characterization (HPPC) [36, 37] were developed for physics-based feature extraction during battery operation. Further optimization of these diagnostic techniques includes novel State of Health (SoH) feature development [38-41] and diagnostic time reduction [42, 43]. Compared to the extensive research on lifetime prediction during operation, there have been few studies on lifetime prediction during the manufacturing process (i.e., extreme early cycle life prediction) because of the limited availability of public manufacturing data. In fact, the cycle life can vary greatly based on the protocol used during formation, in which a passivation layer of Solid Electrolyte Interphase (SEI) is rapidly formed on the anode to limit further degradation during use. For example, Weng et al. [44] showed that the Nickel Manganese Cobalt (NMC)/graphite pouch cells with the fast formation protocol proposed by Wood et al. [45, 46] had in average 25% longer cycle lives than the pouch cells with a baseline formation protocol when aging the cells in both room temperature and high-temperature (45

Federated learning in satellite constellations, where the satellites collaboratively train a machine learning model, is a promising technology towards enabling globally connected intelligence and the integration of space networks into terrestrial mobile networks. The energy required for this computationally intensive task is provided either by solar panels or by an internal battery if the satellite is in Earth's shadow. Careful management of this battery and system's available energy resources is not only necessary for reliable satellite operation, but also to avoid premature battery aging. We propose a novel energy-aware computation time scheduler for satellite FL, which aims to minimize battery usage without any impact on the convergence speed. Numerical results indicate an increase of more than 3x in battery lifetime can be achieved over energy-agnostic task scheduling.

Accurately measuring the cycle lifetime of commercial lithium-ion batteries is crucial for performance and technology development. We introduce a novel hybrid approach combining a physics-based equation with a self-attention model to predict the cycle lifetimes of commercial lithium iron phosphate graphite cells via early-cycle data. After fitting capacity loss curves to this physics-based equation, we then use a self-attention layer to reconstruct entire battery capacity loss curves. Our model exhibits comparable performances to existing models while predicting more information: the entire capacity loss curve instead of cycle life. This provides more robustness and interpretability: our model does not need to be retrained for a different notion of end-of-life and is backed by physical intuition.

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 cycle life prediction using early degradation data has many potential applications throughout the battery product life cycle. For that reason, various data-driven methods have been proposed for point prediction of battery cycle life with minimum knowledge of the battery degradation mechanisms. However, managing the rapidly increasing amounts of batteries at end-of-life with lower economic and technical risk requires prediction of cycle life with quantified uncertainty, which is still lacking. The interpretability (i.e., the reason for high prediction accuracy) of these advanced data-driven methods is also worthy of investigation. Here, a Quantile Regression Forest (QRF) model, having the advantage of not assuming any specific distribution of cycle life, is introduced to make cycle life range prediction with uncertainty quantified as the width of the prediction interval, in addition to point predictions with high accuracy. The hyperparameters of the QRF model are optimized with a proposed alpha-logistic-weighted criterion so that the coverage probabilities associated with the prediction intervals are calibrated. The interpretability of the final QRF model is explored with two global model-agnostic methods, namely permutation importance and partial dependence plot.

The ever-increasing quantity of multivariate process data is driving a need for skilled engineers to analyze, interpret, and build models from such data. Multivariate data analytics relies heavily on linear algebra, optimization, and statistics and can be challenging for students to understand given that most curricula do not have strong coverage in the latter three topics. This article describes interactive software - the Latent Variable Demonstrator (LAVADE) - for teaching, learning, and understanding latent variable methods. In this software, users can interactively compare latent variable methods such as Partial Least Squares (PLS), and Principal Component Regression (PCR) with other regression methods such as Least Absolute Shrinkage and Selection Operator (lasso), Ridge Regression (RR), and Elastic Net (EN). LAVADE helps to build intuition on choosing appropriate methods, hyperparameter tuning, and model coefficient interpretation, fostering a conceptual understanding of the algorithms' differences. The software contains a data generation method and three chemical process datasets, allowing for comparing results of datasets with different levels of complexity. LAVADE is released as open-source software so that others can apply and advance the tool for use in teaching or research.

Thanks to the cost reductions that have come from global electric vehicle adoption, lithium ion batteries now have an important role to play in grid storage, Susan Babinec, Argonne National Laboratory, told audiences last week at the International Battery Virtual Seminar and Exhibit. But making full use of them is going to require a bit of help from artificial intelligence. While EVs prize high energy density, and only need to last about eight years, grid applications require more cycles, more calendar life--20 to 30 years--and more safety at a lower cost. "Grid economics requires precise life data, which is very time and resource intensive to generate," Babinec said. "We are using approximations that create risk, limit our design creativity, and increase cost."

Now we were able start a training job from the command line with the option to modify almost everything on the fly. We could adjust things like number of epochs, batch size, shuffling, checkpoint saving and even switch between model architectures easily, by adding a flag after the command. This allowed us to iterate fast, test different theories, and burn through a lot of (free) credits. We' built our model with tf.Keras using the functional API. We feed the array and scalar features into the model at separate entry points, so we can do different things to them before bringing them back together.