Yuqi Li

Han Zhang, Xiaofan Gui, Shun Zheng et al.

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.

Shaoheng Wang, Yao Lu, Yuqi Li et al.

As a parameter efficient fine-tuning (PEFT) method, low-rank adaptation (LoRA) can save significant costs in storage and computing, but its strong adaptability to a single task is often accompanied by insufficient cross-task generalization capabilities. To improve this, existing work combines LoRA with mixture-of-experts (MoE) to enhance the model's adaptability through expert modules and routing mechanisms. However, existing LoRA-MoE methods lack unified standards in models, datasets, hyperparameters, and evaluation methods, making it difficult to conduct fair comparisons between different methods. To this end, we proposed a unified benchmark named LoRALib. Specifically, we standardized datasets from $40$ downstream tasks into a unified format, fine-tuned them using the same hyperparameters and obtained $680$ LoRA modules across $17$ model architectures. Based on this LoRA library, we conduct large-scale experiments on $3$ representative LoRA-MoE methods and different LoRA selection mechanisms using the open-sourced testing tool OpenCompass. Extensive experiments show that LoRAMoE performs best, and that prioritizing LoRAs relevant to the target task can further improve the performance of MoE. We hope these findings will inspire future work. Our datasets and LoRA library are available at https://huggingface.co/datasets/YaoLuzjut/LoRAOcean_dataset and https://huggingface.co/YaoLuzjut/models.

Yuqi Li, Han Zhang, Xiaofan Gui et al.

Battery degradation is governed by complex and randomized cyclic conditions, yet existing modeling and prediction frameworks usually rely on rigid, unchanging protocols that fail to capture real-world dynamics. The stochastic electrical signals make such prediction extremely challenging, while, on the other hand, they provide abundant additional information, such as voltage fluctuations, which may probe the degradation mechanisms. Here, we present chemistry-aware battery degradation prediction under dynamic conditions with machine learning, which integrates hidden Markov processes for realistic power simulations, an automated batch-testing system that generates a large electrochemical dataset under randomized conditions, an interfacial chemistry database derived from high-throughput X-ray photoelectron spectroscopy for mechanistic probing, and a machine learning model for prediction. By automatically constructing a polynomial-scale feature space from irregular electrochemical curves, our model accurately predicts both battery life and critical knee points. This feature space also predicts the composition of the solid electrolyte interphase, revealing six distinct failure mechanisms-demonstrating a viable approach to use electrical signals to infer interfacial chemistry. This work establishes a scalable and adaptive framework for integrating chemical engineering and data science to advance noninvasive diagnostics and optimize processes for more durable and sustainable energy storage technologies.