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Thermal conductivity prediction of BN composites based on Enhanced Co-ANN combined with physical attention mechanisms 基于增强Co-ANN结合物理注意机制的BN复合材料导热系数预测
IF 9.6 Q1 COMPUTER SCIENCE, ARTIFICIAL INTELLIGENCE Pub Date : 2025-12-10 DOI: 10.1016/j.egyai.2025.100663
Chen Liu , Tong Li , Yuandong Guo , Guiping Lin
This study proposes an enhanced co-training artificial neural network (Enhanced Co-ANN) guided by the physical attention mechanisms for the effective thermal conductivity prediction of high filler volume fraction polymer/BN composites. The thermal conductivity of BN composites is influenced by multiple factors, including the morphology of the fillers, interface thermal resistance, and experimental noise. This model tackles complex physical processes by integrating a customized multi-head physical attention layer to emphasize key features, along with a physics-constrained loss function to ensure prediction consistency. A collaborative training strategy based on curriculum learning and consistency discrimination is adopted. The model is optimized using 3174 labeled experimental datasets and 50,000 unlabeled data generated from physical models. Weight distribution is systematically designed across three core levels: model architecture, loss function, and training strategy. This approach differs from traditional parameter weight adjustments, as it emphasizes key features, especially volume fraction (vf), and balances different learning objectives through a physically guided mechanism and dynamic training strategies. Attention visualization indicates that the model adaptively focuses on the volume fraction of the packing material and the interface effect, verifying the effectiveness of the physically guided design. Six groups of samples with different packing volume fractions were made for testing and validation. This model has high accuracy (R² = 0.982; MAE = 0.045 W/m K) and is extremely consistent with physical laws. This network framework provides a method with broad application prospects for the rapid calculation, screening, and efficient design of high-performance polymer/BN thermal conductive materials.
本研究提出了一种以物理注意机制为指导的增强型协同训练人工神经网络(enhanced Co-ANN),用于高填料体积分数聚合物/BN复合材料的有效导热系数预测。BN复合材料的导热性能受填料形态、界面热阻和实验噪声等多种因素的影响。该模型通过集成定制的多头物理注意层来强调关键特征,以及物理约束损失函数来确保预测一致性,从而解决复杂的物理过程。采用基于课程学习和一致性判别的协同训练策略。该模型使用3174个标记实验数据集和5万个物理模型生成的未标记数据集进行优化。权重分布系统地设计在三个核心层面:模型架构,损失函数和训练策略。这种方法不同于传统的参数权重调整,因为它强调关键特征,特别是体积分数(vf),并通过物理引导机制和动态训练策略平衡不同的学习目标。注意可视化表明,该模型自适应地关注包装材料的体积分数和界面效应,验证了物理引导设计的有效性。制作了6组不同包装体积分数的样品进行检测和验证。该模型精度高(R²= 0.982;MAE = 0.045 W/m K),与物理规律极为吻合。该网络框架为高性能聚合物/BN导热材料的快速计算、筛选和高效设计提供了一种具有广阔应用前景的方法。
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引用次数: 0
MI-VMD-BSCNet: A lightweight spatiotemporal modeling framework for tube temperature prediction in coal-fired boiler water-walls MI-VMD-BSCNet:燃煤锅炉水冷壁管温预测的轻量级时空建模框架
IF 9.6 Q1 COMPUTER SCIENCE, ARTIFICIAL INTELLIGENCE Pub Date : 2025-12-02 DOI: 10.1016/j.egyai.2025.100656
Shiming Xu , Zhiqian He , Xianyong Peng , Zhi Wang , Yuhan Wang , Youxiang Zhang , Guangmin Yang , Mingcheng Zhang , Jinsha Luo , Yunxi Guo , Huan Liu , Meixi Zhao , Junqin Yan , Fan Geng , Huaichun Zhou
Over-temperature of boiler water-walls causes tube leakage in ultra-supercritical coal-fired power units. This is a critical issue intensified by frequent load fluctuations from flexible peak shaving, essential for carbon peaking and neutrality goals. Existing computational fluid dynamics methods have high computational load, limiting their suitability for real-time monitoring, while data-driven approaches cannot accurately capture dynamic temperature changes under rapid load ramp. This study proposes a lightweight spatiotemporal modeling framework, referred to as mutual information-variational mode decomposition-broad skip connection network (MI-VMD-BSCNet), for high-accuracy and low-cost water-wall temperature prediction, advancing artificial intelligence applications in energy systems. A feature selection method reduces the input complexity, advanced signal processing enhances the temporal feature representation, and a sliding window approach captures the underlying local and global patterns. BSCNet leverages a parallel feature extraction architecture and skip connections to optimize feature fusion and gradient flow, allowing to improve the modeling of dynamic temperature variations. The model is trained and evaluated using historical data from a 1000 MW ultra-supercritical coal-fired boiler. The obtained results demonstrate that it outperforms baseline convolutional neural network and broad learning system models, achieving mean absolute error, mean absolute percentage error, and root mean square error of 1.493 °C, 0.395%, and 1.964 °C, respectively. This framework enables early warning of over-temperature failures, which supports sustainable boiler operation and provides a high potential for theoretical and engineering advancements.
超超临界火电机组锅炉水冷壁温度过高会引起管漏。灵活调峰引起的频繁负荷波动加剧了这一关键问题,这对碳调峰和中和目标至关重要。现有的计算流体动力学方法计算量大,限制了其实时监测的适用性,而数据驱动的方法无法准确捕捉快速负荷斜坡下的动态温度变化。本研究提出了一种轻量级的时空建模框架,称为互信息变分模式分解-宽跳跃连接网络(MI-VMD-BSCNet),用于高精度和低成本的水冷壁温度预测,推进人工智能在能源系统中的应用。特征选择方法降低了输入复杂度,高级信号处理增强了时间特征表示,滑动窗口方法捕获了潜在的局部和全局模式。BSCNet利用并行特征提取架构和跳过连接来优化特征融合和梯度流,从而改进动态温度变化的建模。利用1000mw超超临界燃煤锅炉的历史数据对模型进行了训练和评估。得到的结果表明,它优于基线卷积神经网络和广义学习系统模型,平均绝对误差、平均绝对百分比误差和均方根误差分别为1.493°C、0.395%和1.964°C。该框架能够实现超温故障的早期预警,从而支持锅炉的可持续运行,并为理论和工程进步提供了巨大的潜力。
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引用次数: 0
An explainable artificial intelligence feature selection framework for transparent, trustworthy, and cost-efficient energy forecasting 一个可解释的人工智能特征选择框架,用于透明、可信和成本效益的能源预测
IF 9.6 Q1 COMPUTER SCIENCE, ARTIFICIAL INTELLIGENCE Pub Date : 2025-12-01 DOI: 10.1016/j.egyai.2025.100648
Leonard Kost, Sarah K. Lier, Michael H. Breitner
Accurate forecasting of renewable power generation is crucial for grid stability and cost efficiency. Feature selection in AI-based forecasting remains challenging due to high data acquisition cost, lack of transparency, and limited user control. We introduce a transparent and cost-sensitive feature selection framework for renewable power forecasting that leverages Explainable Artificial Intelligence (XAI). We integrate SHapley Additive exPlanations (SHAP) and Explain Like I’m 5 (ELI5) to identify dominant and redundant features. This approach enables systematic dataset reduction without compromising model performance. Our case study, based on Photovoltaic (PV) generation data, evaluates the approach across four experimental setups. Experimental results indicate that our XAI-based feature selection reduces the dominance index from 0.37 to 0.17, maintains high predictive accuracy (R2 = 0.94, drop < 0.04), and lowers data acquisition costs. Furthermore, eliminating dominant features improves robustness to noise and reduces performance variance by a factor of three compared to the baseline scenario. The developed framework enhances interpretability, supports human-in-the-loop decision-making, and introduces a cost-sensitive objective function for feature selection. By combining transparency, robustness, and efficiency, we contribute to the development and implementation of Trustworthy AI (TAI) applications in energy forecasting, providing a scalable solution for industrial deployment.
可再生能源发电的准确预测对电网的稳定性和成本效率至关重要。由于数据采集成本高、缺乏透明度和用户控制有限,基于人工智能的预测中的特征选择仍然具有挑战性。我们为可再生能源预测引入了一个透明且成本敏感的特征选择框架,该框架利用可解释人工智能(XAI)。我们整合了SHapley加性解释(SHAP)和“像我5一样解释”(ELI5)来识别主要特征和冗余特征。这种方法可以在不影响模型性能的情况下实现系统的数据集缩减。我们的案例研究基于光伏发电数据,在四个实验设置中评估了该方法。实验结果表明,基于xai的特征选择将优势度指数从0.37降低到0.17,保持了较高的预测精度(R2 = 0.94, drop < 0.04),降低了数据采集成本。此外,消除主要特征可以提高对噪声的鲁棒性,并将性能差异减少到基线情景的三倍。所开发的框架增强了可解释性,支持人在环决策,并为特征选择引入了成本敏感的目标函数。通过结合透明度、稳健性和效率,我们为可信赖的人工智能(TAI)在能源预测中的应用的开发和实施做出了贡献,为工业部署提供了可扩展的解决方案。
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引用次数: 0
Scenario generation via moments-informed normalizing flows for stochastic optimization of local energy markets 基于时刻信息的规范化流的情景生成,用于局部能源市场的随机优化
IF 9.6 Q1 COMPUTER SCIENCE, ARTIFICIAL INTELLIGENCE Pub Date : 2025-12-01 DOI: 10.1016/j.egyai.2025.100649
Xu Zhou, Vassilis M. Charitopoulos
Scenario generation is a critical step in stochastic programming for energy systems applications, where accurate representation of uncertainty directly impacts the decision quality. Normalizing flows (NFs), a class of invertible deep generative models, offer flexibility in learning complex distributions by maximizing the likelihood, but often suffer from limited accuracy in reproducing key statistical properties of real-world data. In this work we propose a moments-informed Normalizing Flows (MI-NF) framework, in which moment constraints are incorporated into the NF training process to improve the accuracy of scenario-based probabilistic forecasts. Furthermore, Gaussian Processes (GPs) are employed to adaptively determine the moment regularization weight. Case studies on the open-access dataset of the Global Energy Forecasting Competition 2014 demonstrate that scenarios generated by the MI-NF model achieve over 40% lower mean absolute error on the testing set. When applied within a stochastic programming framework for a local electricity–hydrogen market, the improved scenario accuracy leads to more cost-effective and robust operational decisions under uncertainty.
场景生成是能源系统随机规划应用的关键步骤,其中不确定性的准确表示直接影响决策质量。归一化流(NFs)是一种可逆的深度生成模型,通过最大化似然提供了学习复杂分布的灵活性,但在再现现实世界数据的关键统计属性时,往往受到准确性的限制。在这项工作中,我们提出了一个矩通知的归一化流(MI-NF)框架,其中矩约束被纳入到NF训练过程中,以提高基于场景的概率预测的准确性。此外,采用高斯过程自适应确定矩正则化权值。对2014年全球能源预测大赛开放获取数据集的案例研究表明,MI-NF模型生成的场景在测试集上的平均绝对误差降低了40%以上。当应用于当地电力-氢市场的随机规划框架时,改进的情景准确性导致不确定性下更具成本效益和稳健的运营决策。
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引用次数: 0
Large format battery SoC estimation: An ultrasonic sensing and deep transfer learning predictions for heterogeneity 大尺寸电池SoC估计:超声传感和深度迁移学习预测异质性
IF 9.6 Q1 COMPUTER SCIENCE, ARTIFICIAL INTELLIGENCE Pub Date : 2025-12-01 DOI: 10.1016/j.egyai.2025.100662
Hamidreza Farhadi Tolie , Benjamin Reichmann , James Marco , Zahra Sharif Khodaei , Mona Faraji Niri
Accurate state of charge (SoC) estimation is vital for safe and efficient operation of lithium-ion batteries. Methods such as Coulomb counting and open-circuit voltage measurements face challenges related to drift and accuracy, especially in large-format cells with spatial gradients in electric vehicles and grid storage usage. This study investigates ultrasonic sensing as a non-invasive and real-time technique for SoC estimation. It explores the opportunity of sensor placement using machine learning models to identify optimal actuator–receiver paths based on signal quality and pinpoints the maximum accuracy that can be achieved for SoC estimation. Based on experimentally collected ultrasound signals transmitted between four sensors installed on a large format pouch cell, a novel and customised deep learning framework enhanced by convolutional neural networks is developed to process ultrasonic signals through transformation to waveform images and leverage transfer learning from strong pre-trained models. The results demonstrate that combining bidirectional signal transmission with a dynamic deep learning-based strategy for actuator and receiver selection significantly enhances the effectiveness of ultrasonic sensing compared to traditional data analysis and pave the way for a robust and scalable SoC monitoring in large-format battery cells. Furthermore, preliminary pathways towards self-supervision are explored by examining the differentiability of ultrasonic signals with respect to SoC, offering a promising route to reduce reliance on conventional ground truths and enhance the scalability of ultrasound-based SoC estimation. The data and source code will be made available at https://github.com/hfarhaditolie/Ultrasonic-SoC.
准确的荷电状态估算对于锂离子电池的安全高效运行至关重要。库仑计数和开路电压测量等方法面临着漂移和精度方面的挑战,特别是在电动汽车和电网存储使用中具有空间梯度的大尺寸电池中。本研究探讨了超声传感作为一种非侵入性和实时的SoC评估技术。它探索了使用机器学习模型来识别基于信号质量的最佳执行器-接收器路径的传感器放置机会,并确定了SoC估计可以达到的最大精度。基于实验采集的超声波信号在安装在大尺寸袋状细胞上的四个传感器之间传输,开发了一种新颖的定制深度学习框架,通过卷积神经网络增强,通过转换到波形图像来处理超声波信号,并利用强预训练模型的迁移学习。结果表明,与传统的数据分析相比,将双向信号传输与基于动态深度学习的致动器和接收器选择策略相结合,显著提高了超声波传感的有效性,并为在大尺寸电池中实现鲁棒性和可扩展性的SoC监测铺平了道路。此外,通过检查超声信号相对于SoC的可微分性,探索了自我监督的初步途径,为减少对传统地面事实的依赖和增强基于超声SoC估计的可扩展性提供了一条有希望的途径。数据和源代码将在https://github.com/hfarhaditolie/Ultrasonic-SoC上提供。
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引用次数: 0
MVLFLM: A parameter-efficient large language model framework for cross-domain multi-voltage load forecasting in smart grids 智能电网跨域多电压负荷预测的参数高效大语言模型框架
IF 9.6 Q1 COMPUTER SCIENCE, ARTIFICIAL INTELLIGENCE Pub Date : 2025-12-01 DOI: 10.1016/j.egyai.2025.100651
Guolong Liu , Yan Bai , Huan Zhao , Keen Wen , Xinlei Wang , Jinjin Gu , Yanli Liu , Gaoqi Liang , Junhua Zhao , Zhao Yang Dong
Modern smart grids face significant challenges in short-term load forecasting due to increasing complexity across transmission, distribution, and consumer levels. While recent studies have explored large language models for load forecasting, existing methods are limited by computational overhead, voltage-level specificity, and inadequate cross-domain generalization. This paper introduces Multi-Voltage Load Forecasting Large Model (MVLFLM), a unified Transformer-based framework that addresses multi-voltage STLF through parameter-efficient fine-tuning of a Llama 2-7B foundation model. Unlike previous LLM-based forecasting methods that focus on single voltage levels or require extensive retraining, MVLFLM employs selective layer freezing to preserve pre-trained knowledge while adapting only essential parameters for load pattern recognition. Comprehensive evaluation across four real-world datasets spanning high (transmission), medium (distribution), and low (consumer) voltage levels demonstrates MVLFLM’s superior performance, achieving higher performance than benchmarks. Most significantly, MVLFLM exhibits exceptional zero-shot generalization with only 9.07% average performance degradation when applied to unseen grid entities, substantially outperforming existing methods. These results establish MVLFLM as the unified, computationally efficient solution for multi-voltage load forecasting that maintains forecasting accuracy while enabling seamless deployment across heterogeneous smart grid infrastructures.
由于输电、配电和用户层面的复杂性日益增加,现代智能电网在短期负荷预测方面面临重大挑战。虽然最近的研究已经探索了用于负荷预测的大型语言模型,但现有的方法受到计算开销、电压水平特异性和不充分的跨域泛化的限制。本文介绍了多电压负荷预测大模型(MVLFLM),这是一个基于变压器的统一框架,通过对Llama 2-7B基础模型进行参数高效微调来解决多电压STLF问题。与以往基于llm的预测方法不同,MVLFLM采用选择性层冻结来保留预训练的知识,同时只适应负载模式识别的基本参数。对高(传输)、中(配电)和低(消费者)电压水平的四个实际数据集进行综合评估,证明了MVLFLM的卓越性能,实现了比基准更高的性能。最重要的是,当应用于不可见的网格实体时,MVLFLM表现出优异的零射击泛化,平均性能下降仅为9.07%,大大优于现有方法。这些结果表明,MVLFLM是一种统一的、计算效率高的多电压负荷预测解决方案,既能保持预测准确性,又能实现跨异构智能电网基础设施的无缝部署。
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引用次数: 0
Machine learning-guided optimization of high-performance porous composite membranes for alkaline water electrolysis 碱水电解用高性能多孔复合膜的机器学习优化
IF 9.6 Q1 COMPUTER SCIENCE, ARTIFICIAL INTELLIGENCE Pub Date : 2025-12-01 DOI: 10.1016/j.egyai.2025.100657
Xinyang Zhao , Zhen Geng , Sheng Guo , Hao Cai , Qihan Xia , Min Liu , Xuesong Zhang , Liming Jin , Cunman Zhang
The production of green hydrogen via alkaline water electrolysis necessitates porous composite membranes with high ionic conductivity and high bubble-point pressure. However, the mainstream preparation process of porous composite membranes involves many parameters, rendering this a complex high-dimensional optimization problem. Traditional trial-and-error experimentation is inefficient and often fails to explore the performance boundaries. In this study, an XGBoost -based machine learning model is developed and trained with laboratory-collected datasets, achieving satisfactory predictive performance. The model provides critical insights into the relationships between six manufacturing parameters and the two core performance parameters of the membrane. Subsequently, prediction based on coarse-grained grid and reverse search are performed on the model to identify optimal parameter regions, followed by manual refinement through feature analysis. This integrated approach ultimately identifies three high-performance composite membrane candidates, which are experimentally validated. This work demonstrates a highly efficient and accurate machine learning-driven paradigm for the development of advanced porous composite membrane in alkaline water electrolysis.
碱水电解生产绿色氢需要具有高离子电导率和高气泡点压力的多孔复合膜。然而,主流多孔复合膜的制备工艺涉及众多参数,是一个复杂的高维优化问题。传统的试错实验效率低下,而且常常无法探索性能边界。在本研究中,开发了基于XGBoost的机器学习模型,并使用实验室收集的数据集进行了训练,取得了令人满意的预测性能。该模型为六个制造参数与膜的两个核心性能参数之间的关系提供了关键的见解。然后对模型进行基于粗粒度网格的预测和反向搜索,找出最优参数区域,再通过特征分析进行人工细化。这种综合方法最终确定了三种高性能复合膜候选材料,并进行了实验验证。这项工作为碱水电解中先进多孔复合膜的开发提供了一种高效、准确的机器学习驱动范式。
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引用次数: 0
Surrogate-driven design optimization with uncertainty constraints in Monte Carlo simulations 蒙特卡罗仿真中不确定性约束下的代理驱动设计优化
IF 9.6 Q1 COMPUTER SCIENCE, ARTIFICIAL INTELLIGENCE Pub Date : 2025-12-01 DOI: 10.1016/j.egyai.2025.100655
Omer F. Erdem , David P. Broughton , Josef Svoboda , Chengkun Huang , Majdi I. Radaideh
In multi-objective design tasks, the computational cost increases rapidly when high-fidelity simulations are used to evaluate objective functions. Surrogate models help mitigate this cost by approximating the simulation output, simplifying the design process. However, under high uncertainty, surrogate models trained on noisy data can produce inaccurate predictions, as their performance depends heavily on the quality of training data. This study investigates the impact of data uncertainty on two multi-objective design problems modeled using Monte Carlo transport simulations: a neutron moderator and an ion-to-neutron converter. For each, a grid search was performed using five different tally uncertainty levels to generate training data for neural network surrogate models. These models were then optimized using Non-dominated Sorting Genetic Algorithm (NSGA-III). The recovered Pareto-fronts were analyzed across uncertainty levels: in the moderator problem, normalized hypervolume dropped from 0.886 at 1.0% uncertainty to 0.748 at 10% uncertainty, while in the converter problem it remained near 0.50 for all cases. Average simulation times were also compared to evaluate the trade-off between accuracy and computational cost. Results show that the influence of simulation uncertainty is strongly problem-dependent. In the neutron moderator case, higher uncertainties led to exaggerated objective sensitivities and distorted Pareto-fronts, reducing normalized hypervolume. In contrast, the ion-to-neutron converter task was less affected—low-fidelity simulations produced results similar to those from high-fidelity data. These findings suggest that a fixed-fidelity approach is not optimal. Surrogate models can recover the Pareto-front under noisy conditions, and multi-fidelity studies help identify suitable uncertainty levels for each problem to balance efficiency and accuracy.
在多目标设计任务中,采用高保真仿真对目标函数进行评估,计算成本会迅速增加。代理模型通过近似模拟输出,简化了设计过程,帮助降低了这一成本。然而,在高不确定性下,在噪声数据上训练的代理模型可能会产生不准确的预测,因为它们的性能在很大程度上取决于训练数据的质量。本研究探讨了数据不确定性对两个多目标设计问题的影响,这些问题使用蒙特卡罗输运模拟建模:中子慢化剂和离子-中子转换器。对于每一个,使用五种不同的计数不确定性水平进行网格搜索,以生成神经网络代理模型的训练数据。然后使用非支配排序遗传算法(NSGA-III)对这些模型进行优化。在不同的不确定性水平上分析恢复的Pareto-fronts:在调解者问题中,标准化超容量从1.0%不确定性时的0.886下降到10%不确定性时的0.748,而在转换器问题中,它仍然接近0.50。还比较了平均模拟时间,以评估准确性和计算成本之间的权衡。结果表明,仿真不确定性的影响具有很强的问题依赖性。在中子慢化剂的情况下,较高的不确定性导致了客观灵敏度的夸大和帕累托前沿的扭曲,减少了归一化的超大体积。相比之下,离子-中子转换任务受到的影响较小——低保真度模拟产生的结果与高保真度数据产生的结果相似。这些发现表明,固定保真度方法并不是最优的。代理模型可以在噪声条件下恢复Pareto-front,多保真度研究有助于为每个问题确定合适的不确定性水平,以平衡效率和准确性。
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引用次数: 0
Kinetic-model identification in metal-hydride reactions using neural network autoencoder surrogate models 用神经网络自编码器替代模型识别金属氢化物反应的动力学模型
IF 9.6 Q1 COMPUTER SCIENCE, ARTIFICIAL INTELLIGENCE Pub Date : 2025-12-01 DOI: 10.1016/j.egyai.2025.100659
André Martins Neves , Willi Großmann , Julián Atílio Puskiel , Jan Warfsmann , Vahid Reza Hosseini , Maximilian Passing , Thomas Carraro , Thomas Klassen , Oliver Niggemann , Julian Jepsen
Solid-state hydrides can reversibly absorb and desorb H2 under comparatively mild temperature and pressure conditions, making them promising candidates for H2 storage in renewable energy applications. The underlying gas-solid interactions are complex and involve multiple intermediary steps. Because they occur in series, by fitting experimental data employing several proposed models, it is possible to identify the rate-limiting step of the reaction, driving the development of new catalysts and the design of H2-storage systems. The corresponding state-of-the-art method for model identification is the reduced-time method (RTM), which is time-consuming and often yields inconclusive results. To overcome these limitations and to facilitate automatization, this work proposes a framework with 12 unsupervised neural networks (NNs) which are trained using simulated curves from selected kinetic models. These networks are applied to a dataset of 144 experimental kinetic curves of an AB2 hydride-forming alloy as a blueprint material. Each NN attempts to reconstruct the input data, and the model with the lowest reconstruction loss is selected. The machine learning algorithm achieved a match of 97% and 91% for the absorption/desorption curves compared to the benchmark. Both reactions follow predominantly the Avrami-Erofeyev model with exponents (n) between 0.8 and 0.9. The kinetic constants (k) derived from the assigned model are used to simulate kinetic curves, showing excellent agreement with experimental data and RTM results. The proposed method provides an advantageous approach that can be applied to most gas-solid or even solid-solid reactions.
固态氢化物可以在相对温和的温度和压力条件下可逆地吸收和解吸H2,使其成为可再生能源中氢气储存的有希望的候选者。潜在的气固相互作用是复杂的,涉及多个中间步骤。由于它们是串联发生的,通过采用几种提出的模型拟合实验数据,可以确定反应的限速步骤,从而推动新催化剂的开发和h2存储系统的设计。与之相对应的最先进的模型识别方法是减少时间的方法(RTM),这种方法耗时且往往产生不确定的结果。为了克服这些限制并促进自动化,本工作提出了一个由12个无监督神经网络(nn)组成的框架,这些网络使用来自选定动力学模型的模拟曲线进行训练。将这些网络应用于AB2氢化物形成合金作为蓝图材料的144条实验动力学曲线数据集。每个神经网络尝试重构输入数据,选择重构损失最小的模型。与基准相比,机器学习算法在吸收/解吸曲线上实现了97%和91%的匹配。这两种反应主要遵循指数(n)在0.8和0.9之间的Avrami-Erofeyev模型。用指定模型得到的动力学常数k模拟动力学曲线,与实验数据和RTM结果吻合良好。所提出的方法提供了一种有利的方法,可应用于大多数气固甚至固固反应。
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引用次数: 0
Reproducibility of machine learning-based fault detection and diagnosis for HVAC systems in buildings: An empirical study 基于机器学习的建筑物暖通空调系统故障检测与诊断的再现性:实证研究
IF 9.6 Q1 COMPUTER SCIENCE, ARTIFICIAL INTELLIGENCE Pub Date : 2025-12-01 DOI: 10.1016/j.egyai.2025.100658
Adil Mukhtar , Michael Hadwiger , Franz Wotawa , Gerald Schweiger
Reproducibility is a cornerstone of credible scientific research. The topic gained prominence in fields such as psychology, medicine and artificial intelligence where concerns about non-replicable results sparked ongoing discussions about research practices. However, its status within machine learning for building systems is underexamined. Therefore, this work contributes to closing this gap by analyzing the reproducibility of machine learning-based fault detection and diagnosis studies published over the past decade. We found that nearly all articles are not reproducible due to insufficient disclosure across key dimensions of reproducibility. Notably, 72% of the articles do not specify whether the dataset used is public, proprietary, or commercially available. Only two papers share a link to their code, one of which was broken. Two-thirds of the publications were authored exclusively by academic researchers, yet no significant differences in reproducibility were observed compared to publications with industry-affiliated authors. These findings highlight the need for targeted interventions, including reproducibility guidelines, training for researchers, and policies by journals and conferences that promote transparency and reproducibility.
可重复性是可信科学研究的基石。这个话题在心理学、医学和人工智能等领域获得了突出的地位,这些领域对不可复制结果的担忧引发了对研究实践的持续讨论。然而,它在建筑系统机器学习中的地位尚未得到充分研究。因此,本研究通过分析过去十年发表的基于机器学习的故障检测和诊断研究的可重复性,有助于缩小这一差距。我们发现,由于在可重复性的关键维度上披露不足,几乎所有的文章都是不可重复的。值得注意的是,72%的文章没有说明所使用的数据集是公共的、专有的还是商业上可用的。只有两篇论文分享了他们代码的链接,其中一篇被破解了。三分之二的出版物完全由学术研究人员撰写,但与行业附属作者的出版物相比,在可重复性方面没有明显差异。这些发现强调需要有针对性的干预措施,包括可重复性指南、对研究人员的培训以及期刊和会议制定的促进透明度和可重复性的政策。
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引用次数: 0
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Energy and AI
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