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Toward Multi-Fidelity Machine Learning Force Field for Cathode Materials

Dong, Guangyi, Wang, Zhihui

arXiv.org Artificial Intelligence

Machine learning force fields (MLFFs), which employ neural networks to map atomic structures to system energies, effectively combine the high accuracy of first-principles calculation with the computational efficiency of empirical force fields. They are widely used in computational materials simulations. However, the development and application of MLFFs for lithium-ion battery cathode materials remain relatively limited. This is primarily due to the complex electronic structure characteristics of cathode materials and the resulting scarcity of high-quality computational datasets available for force field training. In this work, we develop a multi-fidelity machine learning force field framework to enhance the data efficiency of computational results, which can simultaneously utilize both low-fidelity non-magnetic and high-fidelity magnetic computational datasets of cathode materials for training. Tests conducted on the lithium manganese iron phosphate (LMFP) cathode material system demonstrate the effectiveness of this multi-fidelity approach. This work helps to achieve high-accuracy MLFF training for cathode materials at a lower training dataset cost, and offers new perspectives for applying MLFFs to computational simulations of cathode materials.

  Country: Asia > China > Shanghai > Shanghai (0.04)
  Genre: Research Report (0.50)
  Industry:

Learning-Augmented Dynamic Power Management with Multiple States via New Ski Rental Bounds

Neural Information Processing Systems

We develop a learning-augmented online algorithm that makes decisions based on (potentially inaccurate) predicted lengths of the idle periods. The algorithm's performance is near-optimal when predictions are accurate and



2025 holiday gift guide: 30 editor-approved presents for everyone on your list

Popular Science

Whether you're shopping for your closest friend who has everything or a grumpy family member who criticizes every gift you've ever given, we have the best suggestions for you. We may earn revenue from the products available on this page and participate in affiliate programs. Your friends and family deserve the best possible gifts. But, shopping can be tricky. You don't want to give them something impersonal, like a gift card, but you also can't resort to drawing them a card with a Christmas tree on it again. It's our job to find the best products and deals, so we've spent way too much time digging up a ton of products that pretty much anyone would like.

  Country: Asia > Middle East > Jordan (0.04)
  Industry:

An Open-Access Benchmark of Statistical and Machine-Learning Anomaly Detection Methods for Battery Applications

Pang, Mei-Chin, Adhikari, Suraj, Kasahara, Takuma, Haba, Nagihiro, Ohno, Saneyuki

arXiv.org Artificial Intelligence

Battery safety is critical in applications ranging from consumer electronics to electric vehicles and aircraft, where undetected anomalies could trigger safety hazards or costly downtime. In this study, we present OSBAD as an open-source benchmark for anomaly detection frameworks in battery applications. By benchmarking 15 diverse algorithms encompassing statistical, distance-based, and unsupervised machine-learning methods, OSBAD enables a systematic comparison of anomaly detection methods across heterogeneous datasets. In addition, we demonstrate how a physics- and statistics-informed feature transformation workflow enhances anomaly separability by decomposing collective anomalies into point anomalies. To address a major bottleneck in unsupervised anomaly detection due to incomplete labels, we propose a Bayesian optimization pipeline that facilitates automated hyperparameter tuning based on transfer-learning and regression proxies. Through validation on datasets covering both liquid and solid-state chemistries, we further demonstrate the cross-chemistry generalization capability of OSBAD to identify irregularities across different electrochemical systems. By making benchmarking database with open-source reproducible anomaly detection workflows available to the community, OSBAD establishes a unified foundation for developing safe, scalable, and transferable anomaly detection tools in battery analytics. This research underscores the significance of physics- and statistics-informed feature engineering as well as model selection with probabilistic hyperparameter tuning, in advancing trustworthy, data-driven diagnostics for safety-critical energy systems.


5 hidden battery drainers you can fix right now

FOX News

Phone battery draining too fast? Simple iPhone and Android settings adjustments like disabling background app refresh and always-on display can extend battery life significantly.


Fixed Point Neural Acceleration and Inverse Surrogate Model for Battery Parameter Identification

Cheon, Hojin, Seo, Hyeongseok, Jeon, Jihun, Lee, Wooju, Jeong, Dohyun, Kim, Hongseok

arXiv.org Artificial Intelligence

The rapid expansion of electric vehicles has intensified the need for accurate and efficient diagnosis of lithium-ion batteries. Parameter identification of electrochemical battery models is widely recognized as a powerful method for battery health assessment. However, conventional metaheuristic approaches suffer from high computational cost and slow convergence, and recent machine learning methods are limited by their reliance on constant current data, which may not be available in practice. To overcome these challenges, we propose deep learning-based framework for parameter identification of electrochemical battery models. The proposed framework combines a neural surrogate model of the single particle model with electrolyte (NeuralSPMe) and a deep learning-based fixed-point iteration method. NeuralSPMe is trained on realistic EV load profiles to accurately predict lithium concentration dynamics under dynamic operating conditions while a parameter update network (PUNet) performs fixed-point iterative updates to significantly reduce both the evaluation time per sample and the overall number of iterations required for convergence. Experimental evaluations demonstrate that the proposed framework accelerates the parameter identification by more than 2000 times, achieves superior sample efficiency and more than 10 times higher accuracy compared to conventional metaheuristic algorithms, particularly under dynamic load scenarios encountered in practical applications.

  Country: Asia > South Korea > Seoul > Seoul (0.04)
  Genre: Research Report (1.00)
  Industry:

Best Vacuum Cleaner (2025): Cordless Vacuums, Robot Vacuums, Dysons

WIRED

Looking for all our top recommended vacuums? Here are our favorites in every style we've tested, from stick vacs to robot vacuums. All products featured on WIRED are independently selected by our editors. However, we may receive compensation from retailers and/or from purchases of products through these links. We've tried every kind of vacuum here at WIRED, and we've put together this list noting the best vacuum cleaner for every category we've tried.

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LacMaterial: Large Language Models as Analogical Chemists for Materials Discovery

Guo, Hongyu

arXiv.org Artificial Intelligence

Analogical reasoning, the transfer of relational structures across contexts (e.g., planet is to sun as electron is to nucleus), is fundamental to scientific discovery. Yet human insight is often constrained by domain expertise and surface-level biases, limiting access to deeper, structure-driven analogies both within and across disciplines. Large language models (LLMs), trained on vast cross-domain data, present a promising yet underexplored tool for analogical reasoning in science. Here, we demonstrate that LLMs can generate novel battery materials by (1) retrieving cross-domain analogs and analogy-guided exemplars to steer exploration beyond conventional dopant substitutions, and (2) constructing in-domain analogical templates from few labeled examples to guide targeted exploitation. These explicit analogical reasoning strategies yield candidates outside established compositional spaces and outperform standard prompting baselines. Our findings position LLMs as interpretable, expert-like hypothesis generators that leverage analogy-driven generalization for scientific innovation.


Enhanced Evolutionary Multi-Objective Deep Reinforcement Learning for Reliable and Efficient Wireless Rechargeable Sensor Networks

Tong, Bowei, Kang, Hui, Li, Jiahui, Sun, Geng, Wang, Jiacheng, Yang, Yaoqi, Xu, Bo, Niyato, Dusit

arXiv.org Artificial Intelligence

Abstract--Despite rapid advancements in sensor networks, conventional battery-powered sensor networks suffer from limited operational lifespans and frequent maintenance requirements that severely constrain their deployment in remote and inaccessible environments. As such, wireless rechargeable sensor networks (WRSNs) with mobile charging capabilities offer a promising solution to extend network lifetime. In this paper, we investigate a typical scenario where mobile chargers move and charge the sensor, thereby maintaining the network connectivity while minimizing the energy waste. Specifically, we formulate a multi-objective optimization problem that simultaneously maximizes the network node survival rate and mobile charger energy usage efficiency across multiple time slots, which presents NP-hard computational complexity with long-term temporal dependencies that make traditional optimization approaches ineffective. T o address these challenges, we propose an enhanced evolutionary multi-objective deep reinforcement learning algorithm, which integrates a long short-term memory (LSTM)-based policy network for temporal pattern recognition, a multilayer perceptron-based prospective increment model for future state prediction, and a time-varying Pareto policy evaluation method for dynamic preference adaptation. Extensive simulation results demonstrate that the proposed algorithm significantly outperforms existing approaches in balancing node survival rate and energy efficiency while generating diverse Pareto-optimal solutions. Moreover, we reveal that the LSTM-enhanced policy network achieves 25% faster convergence compared to conventional neural networks, and the time-varying evaluation method adapts effectively to changing network conditions with improved long-term performance stability. Bowei Tong, Hui Kang, and Jiahui Li are with the College of Computer Science and Technology, Jilin University, Changchun 130012, China (e-mails: tongbw25@mails.jlu.edu.cn; Geng Sun is with the College of Computer Science and Technology, Key Laboratory of Symbolic Computation and Knowledge Engineering of Ministry of Education, Jilin University, Changchun 130012, China, and also with the College of Computing and Data Science, Nanyang Technological University, Singapore 639798 (e-mail: sungeng@jlu.edu.cn). Jiacheng Wang and Dusit Niyato are with the College of Computing and Data Science, Nanyang Technological University, Singapore 639798 (e-mail: jiacheng.wang@ntu.edu.sg; Bo Xu is with the School of Information and Communication Engineering, Hainan University, Haikou 570228, China (e-mail: 996458@hainanu.edu.cn).