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An enhanced sorting framework for retired batteries based on multi-dimensional features and an integrated clustering approach 基于多维特征和集成聚类方法的改进退役电池分类框架
IF 9.6 Q1 COMPUTER SCIENCE, ARTIFICIAL INTELLIGENCE Pub Date : 2025-12-01 Epub Date: 2025-09-03 DOI: 10.1016/j.egyai.2025.100612
Zhuo Liu , Bumin Meng , Rui Pan , Juan Zhou
Retired batteries for secondary use offer significant economic benefits and environmental value. Accurate sorting of retired batteries with diverse characteristics can further enhance their application efficiency. However, in practical sorting processes, the presence of redundant features, noise interference, and distribution discrepancies in the data severely limits the accuracy of sorting outcomes. To address these challenges, this paper proposes an enhanced retired battery sorting strategy that incorporates feature selection and a clustering algorithm, aiming to optimize the sorting process from the perspective of feature data. To address feature redundancy and high dimensionality issues, this paper proposes an entropy screening method. The Local Outlier Factor algorithm is used to remove anomalous samples. Subsequently, an ensemble clustering approach is developed based on K-means, Density-Based Spatial Clustering of Applications with Noise, Gaussian Mixture Model, and Spectral clustering, to handle diverse data distributions. The proposed method is validated on 100 retired batteries as well as the large-scale dataset. Additionally, its strong sorting capability and engineering applicability are further demonstrated through carefully designed aging-controlled experiments.
退役电池二次利用具有显著的经济效益和环境价值。对具有不同特性的退役电池进行准确分类,可以进一步提高其应用效率。然而,在实际的分拣过程中,数据中存在冗余特征、噪声干扰和分布差异严重限制了分拣结果的准确性。针对这些挑战,本文提出了一种结合特征选择和聚类算法的增强退役电池分拣策略,旨在从特征数据的角度优化分拣过程。针对特征冗余和高维问题,提出了一种熵筛选方法。采用局部离群因子算法去除异常样本。随后,基于K-means、基于密度的噪声应用空间聚类、高斯混合模型和光谱聚类,提出了一种集成聚类方法来处理不同的数据分布。该方法在100个退役电池和大规模数据集上进行了验证。通过精心设计的老化控制实验,进一步证明了其强大的分选能力和工程适用性。
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引用次数: 0
Dual attention-enhanced data augmentation for diagnosing water management faults in proton exchange membrane fuel cells using imbalanced multi-sine AC data 双注意力增强数据增强在质子交换膜燃料电池水管理故障诊断中的应用
IF 9.6 Q1 COMPUTER SCIENCE, ARTIFICIAL INTELLIGENCE Pub Date : 2025-12-01 Epub Date: 2025-10-16 DOI: 10.1016/j.egyai.2025.100630
Abdullah Shoukat , Zhongyong Liu , Yousif Yahia Ahmed Abuker , Jingguo Li , Lei Mao
Proton exchange membrane fuel cell (PEMFC) faults, especially dehydration and flooding, cause distinct changes in electrochemical behavior. Consequently, real-time monitoring is essential for early and accurate diagnosis. However, acquiring real-world fault data is challenging, and the rarity of such faults results in severe class imbalance. This imbalance limits the performance, reliability, and practical applicability of conventional diagnostic methods. To address these limitations, this study proposes a unified diagnostic framework that integrates multi-sine AC voltage response, boundary-aware resampling, and attention-guided generative modeling. The key innovations of the proposed approach include: (1) Enhanced fault separability through the first application of multi-sine AC voltage response under data imbalance, enabling real-time extraction of critical electrochemical spectral features for early-stage diagnosis; (2) Improved data balance and clearer class boundaries using synthetic minority oversampling with Tomek links, which oversamples minority classes and removes borderline samples; (3) Realistic minority class synthesis using a dual attention Wasserstein generative adversarial networks, where channel attention focuses on diagnostically relevant spectral features and temporal attention models the dynamic evolution of PEMFC electrochemical behavior, ensuring high-quality, diagnostically informative synthetic fault data. The integrated framework achieves 99.67 % overall diagnostic accuracy and, under an extreme 1:200 class imbalance, outperforms state-of-the-art methods by 14 %. This approach enables rapid, data-efficient PEMFC fault diagnosis, strengthening fault management and advancing the performance of energy systems.
质子交换膜燃料电池(PEMFC)的故障,特别是脱水和淹水,会引起电化学行为的明显变化。因此,实时监测对于早期和准确诊断至关重要。然而,获取真实世界的故障数据是具有挑战性的,并且此类故障的稀缺性导致了严重的类不平衡。这种不平衡限制了常规诊断方法的性能、可靠性和实用性。为了解决这些限制,本研究提出了一个统一的诊断框架,该框架集成了多正弦交流电压响应、边界感知重采样和注意引导生成建模。该方法的主要创新点包括:(1)通过首次应用数据不平衡下的多正弦交流电压响应,增强了故障可分性,实现了关键电化学光谱特征的实时提取,用于早期诊断;(2)利用Tomek链接的合成少数派过采样改善了数据的平衡性和更清晰的类边界,该方法对少数派类进行过采样并去除边缘样本;(3)采用双关注Wasserstein生成对抗网络的现实少数派类合成,其中通道关注关注诊断相关的光谱特征,时间关注建模PEMFC电化学行为的动态演变,确保高质量、诊断信息丰富的合成故障数据。集成框架的总体诊断准确率达到99.67%,并且在1:200的极端分类不平衡下,比最先进的方法高出14%。这种方法可以实现快速、数据高效的PEMFC故障诊断,加强故障管理,提高能源系统的性能。
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引用次数: 0
Semi-supervised battery state of health estimation for field applications 现场应用的半监督电池健康状态估计
IF 9.6 Q1 COMPUTER SCIENCE, ARTIFICIAL INTELLIGENCE Pub Date : 2025-12-01 Epub Date: 2025-08-21 DOI: 10.1016/j.egyai.2025.100575
Nejira Hadzalic , Jacob Hamar , Marco Fischer , Simon Erhard , Jan Philipp Schmidt
Battery electric vehicles are exposed to highly diverse operating conditions and driving behaviors that strongly influence degradation pathways, yet these real-world complexities are only partially captured in laboratory aging tests. This study investigates a semi-supervised learning approach for robust estimation of battery state of health, defined as the ratio of remaining to nominal capacity. The method integrates a multi-view co-training algorithm with a rule-based pseudo labeling mechanism and is developed and validated using field data from 3000 BMW i3 vehicles with battery capacity of 60 Ah, collected since 2013 across 34 countries. The available data comprises standardized full charge capacity measurements, which serve as ground truth labels. The proposed training and validation pipeline is designed to address challenges inherent in real-world data generation and is particularly advantageous during early deployment of new battery technologies, when labeled data is scarce. By incrementally incorporating newly available labeled data into both evaluation and retraining, the model adapts to heterogeneous aging patterns observed in the field. Comparative analysis demonstrates that, relative to a supervised benchmark, the proposed method reduces estimation error by 28 % under limited-label conditions and by 6 % under optimally labeled scenarios, highlighting its robustness for field applications.
纯电动汽车暴露在高度多样化的操作条件和驾驶行为中,这些条件和驾驶行为对老化路径有很大影响,但这些现实世界的复杂性仅在实验室老化测试中得到部分体现。本研究研究了一种半监督学习方法,用于稳健估计电池健康状态,定义为剩余容量与标称容量的比率。该方法将多视图协同训练算法与基于规则的伪标签机制相结合,并使用自2013年以来在34个国家收集的3000辆电池容量为60 Ah的宝马i3汽车的现场数据进行了开发和验证。可用的数据包括标准化的全充电容量测量,作为地面真实值标签。拟议的培训和验证管道旨在解决现实世界数据生成中固有的挑战,并且在新电池技术的早期部署中,当标记数据稀缺时,特别具有优势。通过逐步将新获得的标记数据纳入评估和再训练中,该模型适应了现场观察到的异构老化模式。对比分析表明,相对于监督基准,该方法在有限标签条件下减少了28%的估计误差,在最佳标记场景下减少了6%,突出了其对现场应用的鲁棒性。
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引用次数: 0
A novel framework for vehicle charging pattern recognition and charging duration prediction based on EA-CAE and K-means clustering 基于EA-CAE和K-means聚类的车辆充电模式识别和充电持续时间预测新框架
IF 9.6 Q1 COMPUTER SCIENCE, ARTIFICIAL INTELLIGENCE Pub Date : 2025-12-01 Epub Date: 2025-08-27 DOI: 10.1016/j.egyai.2025.100599
Yuemeng Zhang , Longqin Guo , Zeqian Chen , Hongtao Yan , Le Liang , Chunjing Lin
Accurate prediction of electric vehicle (EV) charging duration is critical for improving user satisfaction and enabling efficient real-time charging management. This paper proposes a dynamic charging duration prediction framework for EVs, composed of four coordinated modules: data preprocessing, charging pattern classification, static prediction, and dynamic bias correction. First, raw charging data collected from the Battery Management System (BMS) is cleaned and normalized to address missing and abnormal values. An enhanced convolutional autoencoder (EV-CAE) is then employed to extract multi-scale temporal features, while K-Means clustering is used to identify representative charging behavior patterns. Based on the classified patterns, the static prediction module estimates the current charging duration by leveraging historical data and pattern labels. To enhance adaptability under dynamic conditions, a bias correction mechanism is designed, integrating linear, logarithmic, proportional, and deep learning-based strategies to adjust the prediction results in real time. Experimental results on real-world EV datasets demonstrate that the proposed framework significantly improves prediction accuracy. In particular, the dynamic correction module increases the coefficient of determination (R²) from 0.948 to 0.960, while maintaining robust performance under fluctuating charging behavior and low-temperature conditions. These results validate the practical applicability and engineering potential of the proposed method for real-time charging duration estimation in intelligent EV charging systems.
准确预测电动汽车(EV)充电持续时间对于提高用户满意度和实现高效的实时充电管理至关重要。本文提出了一种电动汽车充电持续时间动态预测框架,该框架由数据预处理、充电模式分类、静态预测和动态偏差校正四个协调模块组成。首先,从电池管理系统(BMS)收集的原始充电数据被清理和规范化,以解决缺失和异常值。然后使用增强的卷积自编码器(EV-CAE)提取多尺度时间特征,同时使用K-Means聚类识别具有代表性的充电行为模式。基于分类模式,静态预测模块利用历史数据和模式标签来估计当前的收费持续时间。为了增强动态条件下的适应性,设计了一种偏差校正机制,集成了线性、对数、比例和基于深度学习的策略,实时调整预测结果。在实际EV数据集上的实验结果表明,该框架显著提高了预测精度。特别是,动态修正模块将决定系数(R²)从0.948增加到0.960,同时在波动充电行为和低温条件下保持稳健的性能。这些结果验证了该方法在电动汽车智能充电系统中实时充电时间估计的实用性和工程潜力。
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引用次数: 0
Neural-accelerated numerical model for packed bed latent heat storage system 填料床潜热蓄热系统的神经加速数值模型
IF 9.6 Q1 COMPUTER SCIENCE, ARTIFICIAL INTELLIGENCE Pub Date : 2025-12-01 Epub Date: 2025-08-27 DOI: 10.1016/j.egyai.2025.100602
Dessie Tadele Embiale , Shri Balaji Padmanabhan , Mohamed Tahar Mabrouk , Stéphane Grieu , Bruno Lacarrière
Developing accurate and computationally efficient dynamic models for packed-bed latent-heat storages (PBLHS) is crucial for reliably predicting their performance across different operating scenarios and enabling their use in planning and real-time control. In this study, a novel neural-accelerated numerical model for PBLHS is proposed by coupling a neural network (NN) into a coarsely discretized equations of the Continuous-solid Phase (CP) model. The embedded NN predicts the surface temperature of the phase change material (PCM) given the fluid temperature and enthalpy of the PCM as inputs, which the CP model fails to capture. This allows the neural-accelerated model to replicate the accuracy of a high-fidelity and computationally expensive model namely Concentric Dispersion (CD) model. An innovative data generation process to generate training data for NN involving both CD and CP model is proposed. Two versions of neural-accelerated model are proposed, one with conventional NN and another using NN with a custom activation function. Both versions demonstrate an excellent accuracy, achieving MSE as low as 0.117 °C, R2 values closer to 0.995 and error percentage below 0.394% compared to the highly accurate CD model. As for computational efficiency, the proposed models achieved 342 times and 764 times acceleration respectively. The gain in more acceleration for the later version of the proposed model is achieved through the use of a compact architecture that benefits from the custom activation function, while also enhancing model explainability. These results highlight the model’s suitability for scenarios demanding both high accuracy and computational efficiency.
为填料床潜热储热系统(PBLHS)建立准确且计算高效的动态模型对于可靠地预测其在不同操作场景下的性能,并使其能够在规划和实时控制中使用至关重要。本文通过将神经网络(NN)与粗离散的连续固相(CP)模型方程相结合,提出了一种新的PBLHS神经加速数值模型。嵌入式神经网络以相变材料(PCM)的流体温度和焓为输入,预测相变材料(PCM)的表面温度,这是CP模型无法捕获的。这使得神经加速模型能够复制高保真度和计算昂贵的模型即同心色散(CD)模型的准确性。提出了一种创新的数据生成过程,用于同时生成CD模型和CP模型的神经网络训练数据。提出了两种版本的神经加速模型,一种是使用传统的神经网络,另一种是使用带有自定义激活函数的神经网络。与高精度的CD模型相比,这两个版本都表现出优异的精度,MSE低至0.117°C, R2值接近0.995,错误率低于0.394%。在计算效率方面,所提模型分别实现了342倍和764倍的加速。通过使用从自定义激活函数中受益的紧凑体系结构,同时还增强了模型的可解释性,为所建议模型的后续版本获得了更多的加速。这些结果突出了该模型对高精度和计算效率要求高的场景的适用性。
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引用次数: 0
LFTL: Lightweight feature transfer learning with channel-independent LSTM for distributed PV forecasting LFTL:基于信道独立LSTM的轻量级特征迁移学习,用于分布式PV预测
IF 9.6 Q1 COMPUTER SCIENCE, ARTIFICIAL INTELLIGENCE Pub Date : 2025-12-01 Epub Date: 2025-09-08 DOI: 10.1016/j.egyai.2025.100616
Yuanjing Zhuo, Huan Long, Zhi Wu, Wei Gu
Distributed photovoltaic (PV) power forecasting in newly installed systems faces challenges due to inherent stochastic volatilities and limited historical data. This paper proposes a lightweight feature transfer learning (LFTL) method that enables rapid and accurate forecasting of new distributed PVs. Firstly, the raw fluctuating PV data are preprocessed through decomposition to separate low- and high-frequency components. These components are then multi-scale segmented to capture diverse temporal characteristics. Following feature compression and LSTM temporal modeling, the informative features from the source domain enable lightweight transfer. For the target domain, a channel-independent encoder is designed to prevent negative interactions between heterogeneous frequencies. The frequency-fused segment-independent decoder equipped with positional embeddings enables local temporal analysis and reduces error accumulation of multi-step forecasts. LFTL trains with a joint training strategy to avoid negative transfer caused by domain disparity. LFTL consistently outperforms state-of-the-art time-series forecast models while maintaining a relatively low computational overhead based on real-world distributed PV data.
分布式光伏发电系统的功率预测由于其固有的随机波动性和有限的历史数据而面临挑战。本文提出了一种轻量级特征迁移学习(LFTL)方法,能够快速准确地预测新的分布式pv。首先,对原始波动PV数据进行分解预处理,分离出低频和高频分量;然后对这些组件进行多尺度分割,以捕获不同的时间特征。在特征压缩和LSTM时态建模之后,来自源域的信息特征支持轻量级传输。对于目标域,设计了信道无关的编码器,以防止异构频率之间的负相互作用。配备位置嵌入的频率融合段独立解码器能够进行局部时间分析,并减少多步预测的误差积累。LFTL训练采用联合训练策略,避免了域差异带来的负迁移。LFTL始终优于最先进的时间序列预测模型,同时保持相对较低的基于实际分布式PV数据的计算开销。
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引用次数: 0
Energy-GNoME: A living database of selected materials for energy applications energy - gnome:能源应用中选定材料的活数据库
IF 9.6 Q1 COMPUTER SCIENCE, ARTIFICIAL INTELLIGENCE Pub Date : 2025-12-01 Epub Date: 2025-09-16 DOI: 10.1016/j.egyai.2025.100605
Paolo De Angelis , Giulio Barletta , Giovanni Trezza , Pietro Asinari , Eliodoro Chiavazzo
Artificial Intelligence (AI) in materials science is driving significant advancements in the discovery of advanced materials for energy applications. The recent GNoME protocol identifies over 380,000 novel stable crystals. From this, we identify over 38,500 materials with potential as energy materials forming the core of the Energy-GNoME database. Our unique combination of Machine Learning (ML) and Deep Learning (DL) tools mitigates cross-domain data bias using feature spaces, thus identifying potential candidates for thermoelectric materials, novel battery cathodes, and novel perovskites. First, classifiers with both structural and compositional features detect domains of applicability, where we expect enhanced reliability of regressors. Here, regressors are trained to predict key materials properties, like thermoelectric figure of merit (zT), band gap (Eg), and cathode voltage (ΔVc). This method significantly narrows the pool of potential candidates, serving as an efficient guide for experimental and computational chemistry investigations and accelerating the discovery of materials suited for electricity generation, energy storage and conversion.
材料科学中的人工智能(AI)正在推动能源应用先进材料的发现取得重大进展。最近的GNoME协议确定了超过38万个新的稳定晶体。由此,我们确定了超过38,500种有潜力成为能源材料的材料,形成了energy - gnome数据库的核心。我们独特的机器学习(ML)和深度学习(DL)工具组合使用特征空间减轻了跨域数据偏差,从而确定了热电材料、新型电池阴极和新型钙钛矿的潜在候选材料。首先,具有结构和组成特征的分类器检测适用性领域,我们期望在这些领域增强回归器的可靠性。在这里,回归量被训练来预测关键的材料性能,如热电性能图(zT)、带隙(Eg)和阴极电压(ΔVc)。这种方法大大缩小了潜在候选材料的范围,为实验和计算化学研究提供了有效的指导,并加速了适合发电、储能和转换的材料的发现。
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引用次数: 0
AI challenge for safe and low carbon power grid operation 人工智能对电网安全低碳运行的挑战
IF 9.6 Q1 COMPUTER SCIENCE, ARTIFICIAL INTELLIGENCE Pub Date : 2025-12-01 Epub Date: 2025-08-28 DOI: 10.1016/j.egyai.2025.100564
Adrien Pavão , Antoine Marot , Jules Sintes , Viktor Eriksson Möllerstedt , Laure Crochepierre , Karim Chaouache , Benjamin Donnot , Van Tuan Dang , Isabelle Guyon
Achieving carbon neutrality by 2050 will require power-grid operators to absorb unprecedented volumes of variable solar and wind generation while maintaining reliability. To tackle this systems-level bottleneck, Réseau de Transport d’Électricité (RTE) and the research community launched Learn To Run A Power Network (L2RPN), a crowd-sourced competition aiming to accelerate the integration of intermittent renewables into power-grid operations. L2RPN is based on 16 years of weekly scenarios (832 in total) on a 118-node grid under realistic constraints, and casts real-time grid operation as a Markov-Decision-Process. The six participating teams tackled the challenge by developing autonomous agents with various strategies blending heuristics, optimization, data scaling, supervised learning, and reinforcement learning. We provide a detailed overview of all six participants’ performance under the competition’s demanding design. In addition, we present an in-depth analysis of the winning solution – made publicly available – which achieves consistent decision making across scenarios, executes real-time multimodal actions in under five seconds, and performs efficient topology control via action-space reduction and a neural policy that predicts useful grid actions with over 80% accuracy. In parallel, we trained a neural alert module on 315,000 samples derived from top agents, achieving 93.9% recall in flagging dangerous states and allowing agents to predict future failure. Finally, this work not only demonstrates AI’s promise and current limits in real-time grid management but also lays a transparent foundation for more robust, trustworthy systems in the energy transition.
到2050年实现碳中和将要求电网运营商在保持可靠性的同时吸收前所未有的可变太阳能和风能发电量。为了解决这一系统级瓶颈,RTE和研究界发起了学习运行电网(L2RPN),这是一项众源竞赛,旨在加速将间歇性可再生能源整合到电网运营中。L2RPN基于现实约束下118节点网格上16年的每周场景(总共832次),并将实时网格操作转换为马尔可夫决策过程。六个参赛团队通过开发具有各种策略的自主代理来应对这一挑战,这些策略混合了启发式、优化、数据缩放、监督学习和强化学习。我们提供了所有六名参与者在比赛苛刻设计下的详细表现概述。此外,我们对获胜的解决方案进行了深入的分析,该解决方案实现了跨场景的一致决策,在五秒内执行实时多模态动作,并通过动作空间缩减和神经策略执行有效的拓扑控制,预测有用的网格动作的准确率超过80%。与此同时,我们对来自顶级智能体的315,000个样本进行了神经警报模块的训练,在标记危险状态时实现了93.9%的召回率,并允许智能体预测未来的故障。最后,这项工作不仅展示了人工智能在实时电网管理方面的前景和当前的局限性,还为能源转型中更强大、更值得信赖的系统奠定了透明的基础。
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引用次数: 0
Sequential constrained optimization for multi-entity operation of integrated electricity-gas distribution systems 电-气一体化系统多实体运行的序贯约束优化
IF 9.6 Q1 COMPUTER SCIENCE, ARTIFICIAL INTELLIGENCE Pub Date : 2025-12-01 Epub Date: 2025-09-13 DOI: 10.1016/j.egyai.2025.100619
Yeong Geon Son, Sung-Yul Kim
The reliable and coordinated operation of energy systems is becoming increasingly important as renewable energy penetration grows and electricity and gas infrastructures become more interconnected. This study addresses the challenge of aligning multiple stakeholders’ objectives in integrated electricity and gas distribution systems by proposing a sequential constrained optimization method. The method solves the multi-objective optimization problem by sequentially prioritizing each entity’s objective while incorporating others as adaptive-weighted sub-objectives and constraints. This process ensures that all entities participate in a fair and balanced decision-making procedure, ultimately converging to a consensus-based solution. The algorithm is validated using IEEE 33-bus and 118-bus test systems coupled with gas networks. Results show that the proposed method improves optimal resource allocation effectiveness by up to 3.66 compared to individual-objective or aggregated-objective benchmarks. Specifically, the method achieves performance improvements ranging from 0.02 pu to 1.7 pu across four distinct entities, highlighting its superiority in balancing conflicting operational goals. Moreover, the method demonstrates low computational delay and converges in fewer than 15 iterations for all tested cases. The algorithm adapts flexibly to different system configurations and maintains solution stability even under asymmetric stakeholder preferences. These findings indicate that the proposed sequential constrained optimization framework is a scalable and effective approach for equitable, multi-agent coordination in integrated multi-energy systems.
随着可再生能源普及率的提高以及电力和天然气基础设施的相互联系日益紧密,能源系统的可靠和协调运行变得越来越重要。本研究通过提出一种顺序约束优化方法,解决了在综合电力和天然气分配系统中协调多个利益相关者目标的挑战。该方法通过对每个实体的目标进行排序,同时将其他实体的目标作为自适应加权子目标和约束,解决了多目标优化问题。这一进程确保所有实体参与公平和平衡的决策程序,最终达成基于协商一致的解决办法。采用IEEE 33总线和118总线测试系统,结合燃气网络对算法进行了验证。结果表明,与个体目标基准和聚合目标基准相比,所提方法的最优资源分配效率提高了3.66。具体来说,该方法在四个不同的实体上实现了从0.02到1.7 pu的性能改进,突出了其在平衡冲突的操作目标方面的优势。此外,该方法具有较低的计算延迟,并且在所有测试用例的15次迭代以内收敛。该算法能够灵活适应不同的系统配置,即使在利益相关者偏好不对称的情况下也能保持解的稳定性。这些结果表明,所提出的顺序约束优化框架是一种可扩展且有效的方法,可用于集成多能系统中公平的多智能体协调。
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引用次数: 0
Opportunities and perspectives of artificial intelligence in electrocatalysts design for water electrolysis 人工智能在水电解电催化剂设计中的机遇与前景
IF 9.6 Q1 COMPUTER SCIENCE, ARTIFICIAL INTELLIGENCE Pub Date : 2025-12-01 Epub Date: 2025-09-02 DOI: 10.1016/j.egyai.2025.100606
Qing Wang , Lizhen Wu , Qiang Zheng , Liang An
As a key pathway for green hydrogen production, water electrolysis is expected to play a central role in the future energy landscape. However, its large-scale deployment is hindered by challenges related to cost, performance, and durability. The emergence of artificial intelligence (AI) has transformed this field by offering powerful and efficient tools for the design and optimization of electrocatalysts. This review outlines an AI-driven multiscale design framework, highlighting its role at the microscopic scale for identifying atomic-level active sites and key descriptors, at the mesoscopic scale for structural and morphological characterization, and at the macroscopic scale for multi-objective optimization and intelligent control. This multiscale framework demonstrates the potential of AI to accelerate the development of next-generation electrocatalysts. In addition, the integration of generative AI and automated experimental techniques is highlighted as promising strategies to further enhance electrocatalyst discovery and promote the practical implementation of water electrolysis technologies.
作为绿色制氢的关键途径,水电解有望在未来的能源格局中发挥核心作用。然而,它的大规模部署受到成本、性能和耐用性等挑战的阻碍。人工智能(AI)的出现为电催化剂的设计和优化提供了强大而有效的工具,从而改变了这一领域。本文概述了人工智能驱动的多尺度设计框架,强调了其在微观尺度上用于识别原子水平的活性位点和关键描述符,在中观尺度上用于结构和形态表征,以及在宏观尺度上用于多目标优化和智能控制的作用。这种多尺度框架展示了人工智能加速下一代电催化剂开发的潜力。此外,生成式人工智能和自动化实验技术的集成被强调为进一步加强电催化剂的发现和促进水电解技术的实际实施的有前途的策略。
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引用次数: 0
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