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Managing Geological Uncertainty in Critical Mineral Supply Chains: A POMDP Approach with Application to U.S. Lithium Resources

arXiv.org Artificial Intelligence

The world is entering an unprecedented period of critical mineral demand, driven by the global transition to renewable energy technologies and electric vehicles. This transition presents unique challenges in mineral resource development, particularly due to geological uncertainty-a key characteristic that traditional supply chain optimization approaches do not adequately address. To tackle this challenge, we propose a novel application of Partially Observable Markov Decision Processes (POMDPs) that optimizes critical mineral sourcing decisions while explicitly accounting for the dynamic nature of geological uncertainty. Through a case study of the U.S. lithium supply chain, we demonstrate that POMDP-based policies achieve superior outcomes compared to traditional approaches, especially when initial reserve estimates are imperfect. Our framework provides quantitative insights for balancing domestic resource development with international supply diversification, offering policymakers a systematic approach to strategic decision-making in critical mineral supply chains.


The Good Robot podcast: Lithium extraction in the Atacama with Sebastián Lehuedé

AIHub

Hosted by Eleanor Drage and Kerry McInerney, The Good Robot is a podcast which explores the many complex intersections between gender, feminism and technology. In this episode, we talk to Sebastián Lehuedé, a Lecturer in Ethics, AI, and Society at King's College London. We talk about data activism in Chile, how water-intensive lithium extraction affects people living in the Atacama desert, the importance of reflexive research ethics, and an accidental Sunday afternoon shot of tequila. Sebastián's research focuses on the governance of digital technologies from a global social justice perspective. His current project, AI's Nature, explores the connection between Artificial Intelligence and environmental justice.


Data-driven development of cycle prediction models for lithium metal batteries using multi modal mining

arXiv.org Artificial Intelligence

These authors contributed equally: J. Lee, J. Woo *: Corresponding author Corresponding author Email: Jihankim@kaist.ac.kr (Jihan Kim), stevepark@kaist.ac.kr (Steve Park), heetak.kim@kaist.ac.kr (Hee-Tak Kim) Abstract Recent advances in data-driven research have shown great potential in understanding the intricate relationships between materials and their performances. Herein, we introduce a novel multi modal data-driven approach employing an Automatic Battery data Collector (ABC) that integrates a large language model (LLM) with an automatic graph mining tool, Material Graph Digitizer (MatGD). This platform enables state-of-the-art accurate extraction of battery material data and cyclability performance metrics from diverse textual and graphical data sources. From the database derived through the ABC platform, we developed machine learning models that can accurately predict the capacity and stability of lithium metal batteries, which is the first-ever model developed to achieve such predictions. Our models were also experimentally validated, confirming practical applicability and reliability of our data-driven approach. INTRODUCTION Lithium metal batteries (LMBs) are a promising next-generation device that can achieve high capacity using lithium metal as an anode due to its exceptionally low density (0.534 g cm Therefore, these studies lack sufficient information to discern a comprehensive effect of different components on the battery performance. Additionally, previous mining research focused not on the entire battery cells but rather on the characteristics of individual battery components. Moreover, these studies were limited by the small number of entities considered and did not extract quantitative information such as concentrations or ratios. Furthermore, the absence of automatic graph mining tools made it difficult to obtain performance data from graphs, such as specific capacity and cycle stability.


Non-destructive Degradation Pattern Decoupling for Ultra-early Battery Prototype Verification Using Physics-informed Machine Learning

arXiv.org Artificial Intelligence

Manufacturing complexities and uncertainties have impeded the transition from material prototypes to commercial batteries, making prototype verification critical to quality assessment. A fundamental challenge involves deciphering intertwined chemical processes to characterize degradation patterns and their quantitative relationship with battery performance. Here we show that a physics-informed machine learning approach can quantify and visualize temporally resolved losses concerning thermodynamics and kinetics only using electric signals. Our method enables non-destructive degradation pattern characterization, expediting temperature-adaptable predictions of entire lifetime trajectories, rather than end-of-life points. The verification speed is 25 times faster yet maintaining 95.1% accuracy across temperatures. Such advances facilitate more sustainable management of defective prototypes before massive production, establishing a 19.76 billion USD scrap material recycling market by 2060 in China. By incorporating stepwise charge acceptance as a measure of the initial manufacturing variability of normally identical batteries, we can immediately identify long-term degradation variations. We attribute the predictive power to interpreting machine learning insights using material-agnostic featurization taxonomy for degradation pattern decoupling. Our findings offer new possibilities for dynamic system analysis, such as battery prototype degradation, demonstrating that complex pattern evolutions can be accurately predicted in a non-destructive and data-driven fashion by integrating physics-informed machine learning.


Optimizing Cycle Life Prediction of Lithium-ion Batteries via a Physics-Informed Model

arXiv.org Artificial Intelligence

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.


LLaMP: Large Language Model Made Powerful for High-fidelity Materials Knowledge Retrieval and Distillation

arXiv.org Artificial Intelligence

Reducing hallucination of Large Language Models (LLMs) is imperative for use in the sciences where reproducibility is crucial. However, LLMs inherently lack long-term memory, making it a nontrivial, ad hoc, and inevitably biased task to fine-tune them on domain-specific literature and data. Here we introduce LLaMP, a multimodal retrieval-augmented generation (RAG) framework of multiple data-aware reasoning-and-acting (ReAct) agents that dynamically interact with computational and experimental data on Materials Project (MP). Without fine-tuning, LLaMP demonstrates an ability to comprehend and integrate various modalities of materials science concepts, fetch relevant data stores on the fly, process higher-order data (such as crystal structures and elastic tensors), and summarize multi-step procedures for solid-state synthesis. We show that LLaMP effectively corrects errors in GPT-3.5's intrinsic knowledge, reducing a 5.21% MAPE on frequently-documented bandgaps and a significant 1103.54% MAPE on formation energies -- errors that GPT-3.5 seems to derive from mixed data sources. Additionally, LLaMP substantially reduces the hallucinated volumetric strain in a diamond cubic silicon structure from 66.3% to 0. The proposed framework offers an intuitive and nearly hallucination-free approach to exploring materials informatics and establishes a pathway for knowledge distillation and fine-tuning other language models. We envision the framework as a valuable component for scientific hypotheses and a foundation for future autonomous laboratories where multiple LLM agents communicate and cooperate with robotics to drive material synthesis and chemical reactions without hard-coded human logic and intervention.


New material found by AI could reduce lithium use in batteries

BBC News

Microsoft researchers used AI and supercomputers to narrow down 32 million potential inorganic materials to 18 promising candidates in less than a week - a screening process that could have taken more than two decades to carry out using traditional lab research methods.


Lithium Metal Battery Quality Control via Transformer-CNN Segmentation

arXiv.org Artificial Intelligence

Lithium metal battery (LMB) has the potential to be the next-generation battery system because of its high theoretical energy density. However, defects known as dendrites are formed by heterogeneous lithium (Li) plating, which hinders the development and utilization of LMBs. Non-destructive techniques to observe the dendrite morphology often use X-ray computed tomography (XCT) to provide cross-sectional views. To retrieve three-dimensional structures inside a battery, image segmentation becomes essential to quantitatively analyze XCT images. This work proposes a new semantic segmentation approach using a transformer-based neural network called TransforCNN that is capable of segmenting out dendrites from XCT data. In addition, we compare the performance of the proposed TransforCNN with three other algorithms, such as U-Net, Y-Net, and E-Net, consisting of an Ensemble Network model for XCT analysis. Our results show the advantages of using TransforCNN when evaluating over-segmentation metrics, such as mean Intersection over Union (mIoU) and mean Dice Similarity Coefficient (mDSC) as well as through several qualitatively comparative visualizations.


The east German town at the centre of the new 'gold rush' … for lithium

The Guardian

It has been called the new gold rush – a rush to catch up with China in producing and refining the materials needed in everything from computers to cars: but has it come too late to save Europe's car industry? Deep inside a former East German town lies the first fruits of the EU's grand plan to "de-risk" and wean itself off dependency on imports for the green revolution. In Bitterfeld-Wolfen, 140km south-west of Berlin, an Amsterdam-listed company is scrambling to complete construction of a vast factory that will be the first in Europe to deliver battery-grade lithium. There is now a race across Europe to both mine the silver-white soft metal and manufacture its refined form, lithium hydroxide – the key ingredient in the batteries that power electric cars, robot vacuum cleaners and mobile phones. "Everybody wants to get access to lithium. This is maybe why they call it the white gold, because it is like a gold rush," says Stefan Scherer, chief executive of AMG Lithium.


An Effective Data Creation Pipeline to Generate High-quality Financial Instruction Data for Large Language Model

arXiv.org Artificial Intelligence

At the beginning era of large language model, it is quite critical to generate a high-quality financial dataset to fine-tune a large language model for financial related tasks. Thus, this paper presents a carefully designed data creation pipeline for this purpose. Particularly, we initiate a dialogue between an AI investor and financial expert using ChatGPT and incorporate the feedback of human financial experts, leading to the refinement of the dataset. This pipeline yielded a robust instruction tuning dataset comprised of 103k multi-turn chats. Extensive experiments have been conducted on this dataset to evaluate the model's performance by adopting an external GPT-4 as the judge. The promising experimental results verify that our approach led to significant advancements in generating accurate, relevant, and financial-style responses from AI models, and thus providing a powerful tool for applications within the financial sector.