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A Dual-Ion Multiphysics Model for Smart and Sustainable Sensors Based on Bacterial Cellulose 基于细菌纤维素的智能可持续传感器双离子多物理场模型
IF 6.1 Q1 AUTOMATION & CONTROL SYSTEMS Pub Date : 2025-10-07 DOI: 10.1002/aisy.202500579
Francesca Sapuppo, Giovanna Di Pasquale, Salvatore Graziani, Sara Sadat Hosseini, Luca Patané, Antonino Pollicino, Carlo Trigona, Maria Gabriella Xibilia

Bacterial cellulose (BC) is an emerging smart material, synthesized through microbial fermentation of environmentally friendly substrates, including organic waste. When functionalized with ionic liquids (ILs) and coated with conductive polymers, BC forms soft, sustainable, and electroactive composites, making it suitable for sensors in soft robotics, wearable, biomedical, and environmental monitoring applications. However, modeling frameworks for BC–IL sensors are still lacking, hindering their integration into real-world applications. To bridge this gap and support smart material design, we propose a novel first-principle white-box modeling framework is proposed that couples a 2D finite element method (FEM) for mechanical deformation with 1D FEM sub-models for ion transport and voltage generation. Specifically, this work introduces the first dual-carrier multiphysics model for mechanoelectric transduction in BC–IL sensors. The model, experimentally calibrated and validated, resolves the spatio-temporal dynamics of mechanical deformation and dual-ion transport, including diffusion, electromigration, and advection. By explicitly incorporating the transport and interaction of both cations and anions, previously neglected in smart-sensors modeling, the proposed strategy provides a foundational simulation framework for the scalable, rapid, and intelligent design of next-generation biodegradable and multifunctional smart sensors, advancing the integration of green materials into intelligent systems.

细菌纤维素(BC)是一种新兴的智能材料,通过微生物发酵的环境友好的底物,包括有机废物合成。当与离子液体(ILs)功能化并涂覆导电聚合物时,BC形成柔软,可持续和电活性的复合材料,使其适用于软机器人,可穿戴,生物医学和环境监测应用中的传感器。然而,BC-IL传感器的建模框架仍然缺乏,阻碍了它们融入现实世界的应用。为了弥补这一差距并支持智能材料设计,我们提出了一种新的第一性原理白盒建模框架,该框架将用于机械变形的二维有限元方法(FEM)与用于离子输运和电压产生的一维有限元子模型耦合在一起。具体来说,这项工作介绍了BC-IL传感器中机电转导的第一个双载流子多物理场模型。该模型经过实验校准和验证,解决了机械变形和双离子传输的时空动力学,包括扩散、电迁移和平流。通过明确地结合阳离子和阴离子的传输和相互作用(以前在智能传感器建模中被忽视),所提出的策略为下一代可生物降解多功能智能传感器的可扩展、快速和智能设计提供了基础仿真框架,促进了绿色材料与智能系统的整合。
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引用次数: 0
Toward More Autonomous Soft Robots: Development and Characterization of a 3D-Printed Pneumatic Contact Sensor for a Six-Legged Soft Robotic Walker 迈向更自主的软体机器人:用于六足软体机器人行走的3d打印气动接触传感器的开发和表征
IF 6.1 Q1 AUTOMATION & CONTROL SYSTEMS Pub Date : 2025-10-07 DOI: 10.1002/aisy.202500430
Philipp Auth, Stefan Conrad, Noah Knorr, Joscha Teichmann, Sebastian Ruppert, Thomas Speck, Falk Tauber

Sensory feedback systems allow soft robots to interact and respond to their environment through embedded or external sensors. These sensors often rely on electronic components for signal interpretation and processing, which increases system complexity, reduces robustness under hazardous conditions, and limits the adaptability of the robots. Reducing complexity and improving adaptability in soft robots requires the development of electronics-free control systems. A 3D-printed, electronics-free sensory system is integrated into a six-legged soft robot, increasing its adaptability by enabling obstacle detection and directional change of locomotion using pneumatic logic gates. Pneumatic systems enable smooth, nature-like movements and can operate safely in environments where electronics might fail. The results show rapid sensor response times (1.41–1.52 s), low required input forces (1.07–4.62 N) of the sensor, and walking speeds up to 0.17 body lengths per second. Operating at 225 kPa with 13.64 ln min−1 of compressed air in tethered mode, the robot also functions autonomously with a CO2 cartridge. Integrated pneumatic grippers enhance their utility for object retrieval. The design achieves a new level of autonomy and versatility, advancing electronics-free control systems, while maintaining cost efficiency. These findings lay the foundation for future innovations in increasingly autonomous electronic-free soft robots.

感觉反馈系统允许软机器人通过嵌入式或外部传感器对环境进行交互和响应。这些传感器通常依赖于电子元件进行信号解释和处理,这增加了系统的复杂性,降低了危险条件下的鲁棒性,并限制了机器人的适应性。为了降低软体机器人的复杂性和提高其适应性,需要开发无电子控制系统。3d打印的无电子传感系统集成到六足软机器人中,通过使用气动逻辑门实现障碍物检测和运动方向改变,提高了其适应性。气动系统可以实现平稳、自然的运动,并且可以在电子设备可能出现故障的环境中安全运行。结果表明,传感器响应时间短(1.41-1.52 s),所需输入力小(1.07-4.62 N),行走速度可达0.17个体长/秒。在系绳模式下,该机器人在225千帕的压力下以13.64 ln min - 1的压缩空气运行,还可以通过二氧化碳筒自主运行。集成气动夹持器增强了其用于对象检索的效用。该设计达到了一个新的自治和多功能性水平,在保持成本效率的同时,推进了无电子控制系统。这些发现为未来越来越自主的无电子软机器人的创新奠定了基础。
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引用次数: 0
Iterative Data Curation for Machine Learning-Based Inverse Design of Active Composite Plates for Four-Dimensional Printing 基于机器学习的四维印刷主动复合材料板反设计迭代数据管理
IF 6.1 Q1 AUTOMATION & CONTROL SYSTEMS Pub Date : 2025-10-05 DOI: 10.1002/aisy.202500916
Teerapong Poltue, Chao Zhang, Frédéric Demoly, Kun Zhou, H. Jerry Qi

Active composite (AC) plates, composed of active and passive materials, can undergo complex shape transformations when stimulated. Leveraging 4D printing—which combines additive manufacturing with stimuli-responsive materials—digitally encoded design patterns offer flexibility in shape morphing. However, performing inverse design, i.e., determining the pattern to achieve a desired shape, remains challenging due to the vast design space. Recently, machine learning (ML) has been applied to inverse design tasks with promising results. Nevertheless, these approaches require large datasets, and even then, inverse design remains difficult, often demanding multiple strategies and trials to obtain optimal results. To address these challenges, this work introduces an iterative data curation strategy combined with transfer learning. This method ensures that newly curated data is nonredundant and distinct from existing datasets, reducing the required training data by a factor of eight while maintaining performance. Additionally, ML models are integrated with a genetic algorithm (ML-GA) to further fine-tune the generated design patterns. The results show that ML-GA enhances accuracy in achieving the desired shape while reducing computational effort. This framework offers an efficient and scalable approach for inverse design, reducing data needs and improving performance, making it a valuable tool for AC plate design and 4D printing.

由有源和无源材料组成的有源复合材料(AC)板在受激作用下可以发生复杂的形状变化。利用4D打印,将增材制造与刺激响应材料相结合,数字编码的设计模式提供了形状变形的灵活性。然而,由于巨大的设计空间,执行逆设计,即确定图案以实现所需的形状,仍然具有挑战性。最近,机器学习(ML)已被应用于逆向设计任务,并取得了可喜的成果。然而,这些方法需要大量的数据集,即使这样,逆向设计仍然很困难,通常需要多种策略和试验来获得最佳结果。为了应对这些挑战,本研究引入了一种结合迁移学习的迭代数据管理策略。该方法确保新整理的数据是非冗余的,并且与现有数据集不同,在保持性能的同时将所需的训练数据减少了8倍。此外,机器学习模型与遗传算法(ML- ga)集成,以进一步微调生成的设计模式。结果表明,ML-GA在减少计算量的同时提高了获得所需形状的精度。该框架为逆向设计提供了一种高效且可扩展的方法,减少了数据需求并提高了性能,使其成为交流板设计和4D打印的宝贵工具。
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引用次数: 0
Elastic Fast Marching Learning from Demonstration 从示范中学习弹性快速前进
IF 6.1 Q1 AUTOMATION & CONTROL SYSTEMS Pub Date : 2025-10-05 DOI: 10.1002/aisy.202500607
Adrian Prados, Brendan Hertel, Ramon Barber, Reza Azadeh

This article introduces a novel approach for learning robotic skills from human demonstrations, Elastic Fast Marching Learning (EFML). This method seamlessly integrates concepts from Elastic Maps, a Learning from Demonstration (LfD) method based on a mesh of springs, and Fast Marching Learning (FML), an LfD method relying on light-based velocity fields. The combination of these methods allows a robot to generate reproductions with multiple properties, such as the ability to be trained with single or multiple demonstrations, adapt to any number of initial, final, or via-point constraints, and generate smooth reproductions. This algorithm not only improves the efficiency of the two previous methods but also enhances capabilities beyond prior works, as the new method operates in both orientation space and task space, which neither of the original methods were able to previously. EFML exhibits advantages in terms of precision, smoothness, and speed. This approach has been validated with various comparisons in simulated environments, evaluating its performance against Elastic Maps, FML, and other contemporary LfD methods using benchmarks such as the LASA and RAIL datasets. In addition, real-world experiments involving tasks like pouring, where both position and orientation are crucial, have been conducted to validate the approach.

本文介绍了一种从人类演示中学习机器人技能的新方法——弹性快速前进学习(EFML)。该方法无缝集成了Elastic Maps(基于弹簧网格的演示学习(LfD)方法)和Fast Marching Learning (FML)(基于基于光的速度场的LfD方法)的概念。这些方法的组合允许机器人生成具有多种属性的复制品,例如通过单个或多个演示进行训练的能力,适应任何数量的初始,最终或过点约束,并生成平滑的复制品。该算法不仅提高了前两种方法的效率,而且由于新方法在方向空间和任务空间中都可以操作,因此在性能上也超越了前两种方法。EFML在精度、平滑性和速度方面具有优势。这种方法已经在模拟环境中进行了各种比较,并使用LASA和RAIL数据集等基准测试来评估其与Elastic Maps、FML和其他现代LfD方法的性能。此外,还进行了一些现实世界的实验来验证这种方法,这些实验涉及的任务包括倾倒,其中位置和方向都是至关重要的。
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引用次数: 0
Multimodal Locomotion of Soft Robots 软机器人的多模态运动
IF 6.1 Q1 AUTOMATION & CONTROL SYSTEMS Pub Date : 2025-10-05 DOI: 10.1002/aisy.202500782
Zihao Yuan, Huangwei Ji, Kai Huang, Feifei Chen, Guoying Gu

Inspired by organisms that utilize multimodal locomotion strategies to adapt to diverse environments, the development of analogous capabilities in soft robots has garnered growing attention. This review comprehensively surveys recent advances in multimodal locomotion within soft robotics. Typical locomotion modes are summarized and categorized. Furthermore, the underlying mechanisms enabling multimodal locomotion, encompassing both the integration of distinct locomotion modes and transitions between them, are discussed in detail and classified into three primary categories: active control-based, reconfiguration-based, and environment-responsive strategies. Leveraging these mechanisms, soft robots demonstrate enhanced adaptability for applications such as cross-domain transition, surface adaptation, and obstacle negotiation. Finally, key challenges in advancing the capabilities of multimodal locomotion to address real-world applications are discussed.

受生物体利用多模式运动策略来适应不同环境的启发,软体机器人中类似能力的发展越来越受到关注。本文综述了软机器人在多模态运动方面的最新进展。对典型的运动模式进行了总结和分类。此外,实现多模式运动的潜在机制,包括不同运动模式的整合和它们之间的转换,被详细讨论并分为三大类:基于主动控制,基于重构和环境响应策略。利用这些机制,软机器人在跨域转换、表面适应和障碍协商等应用中表现出更强的适应性。最后,讨论了推进多模式运动能力以解决实际应用的关键挑战。
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引用次数: 0
RPSLearner: A Novel Approach Based on Random Projection and Deep Stacking Learning for Categorizing Non-Small Cell Lung Cancer RPSLearner:一种基于随机投影和深度堆叠学习的非小细胞肺癌分类新方法。
IF 6.1 Q1 AUTOMATION & CONTROL SYSTEMS Pub Date : 2025-10-05 DOI: 10.1002/aisy.202500635
Xinchao Wu, Jieqiong Wang, Shibiao Wan

Non-small cell lung cancer (NSCLC) comprises the largest subtype of lung cancer with the most cases. Lung adenocarcinoma and lung squamous cell carcinoma are two NSCLC subtypes that pose challenges for accurate diagnosis using conventional methods, including histological examination and imaging, which can be slow and inconclusive. To address these concerns, RPSLearner is proposed, which combines random projection (RP) for dimensionality reduction and stacking ensemble learning to accurately predict lung cancer subtypes. Specifically, multiple independent RP matrices are first generated to project the high-dimensional RNA-seq data into a lower-dimensional space, whose features are subsequently concatenated. After that, the concatenated RP features are fed into a stack of diverse base classifiers, and integrated the predictions from base models via a deep linear layer network. Benchmarking tests on 1 333 NSCLC patients demonstrated that RPSLearner outperformed state-of-the-art approaches for lung cancer subtype classification. Specifically, RPSLearner efficiently preserved sample-to-sample distances even after significant dimension reduction, and the meta-model in RPSLearner yielded consistently higher scores than individual base models. In addition, the feature fusion method outperformed conventional score ensemble methods. We believe RPSLearner is a promising model for downstream lung cancer clinical diagnosis, and it holds the potential to be extended to subtyping of other types of cancer.

非小细胞肺癌(NSCLC)是肺癌中最大的亚型,病例最多。肺腺癌和肺鳞状细胞癌是两种非小细胞肺癌亚型,它们对使用常规方法(包括组织学检查和影像学检查)进行准确诊断构成挑战,这些方法可能缓慢且不确定。为了解决这些问题,RPSLearner被提出,它结合了随机投影(RP)降维和堆叠集成学习来准确预测肺癌亚型。具体而言,首先生成多个独立的RP矩阵,将高维RNA-seq数据投影到低维空间,随后将其特征连接起来。然后,将连接的RP特征输入到不同的基础分类器堆栈中,并通过深度线性层网络整合来自基础模型的预测。对1 333例非小细胞肺癌患者的基准测试表明,RPSLearner在肺癌亚型分类方面优于最先进的方法。具体来说,RPSLearner即使在显著降维后也能有效地保持样本到样本的距离,并且RPSLearner中的元模型始终比单个基本模型获得更高的分数。此外,特征融合方法优于传统的分数集成方法。我们相信RPSLearner是一种很有前景的下游肺癌临床诊断模型,并且它具有扩展到其他类型癌症亚型的潜力。
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引用次数: 0
Impact of Biomimetic Pinna Shape Variation on Clutter Echoes: A Machine Learning Approach 仿生耳廓形状变化对杂波回波的影响:一种机器学习方法
IF 6.1 Q1 AUTOMATION & CONTROL SYSTEMS Pub Date : 2025-10-05 DOI: 10.1002/aisy.202500442
Ibrahim Eshera, Sanmeel Lagad, Rolf Müller

Bats species navigating dense vegetation based on biosonar must obtain sensory information about their environments from “clutter echoes”, i.e., echoes that are superpositions from many unresolved reflecting facets (e.g., leaves) with unpredictable individual waveforms. Prior results suggested that pinna deformations can aid performance in sensing tasks based on deterministic echo patterns, raising the question of whether varying pinna shapes can also have functional significance for biosonar tasks performed on clutter echoes. To test this hypothesis, this work investigates whether different pinna shapes have a consistent effect on clutter echoes despite the random nature of these signals. This is accomplished using a dedicated laboratory setup that produces large amounts of uncorrelated clutter echo data by agitating artificial foliage with fans between echo recordings. Deep learning then identifies the pinna shape that receives a given clutter echo using a data-driven classification approach that learns features directly from echoes without explicit physical modeling. A ResNet-50 achieves 97.8% overall classification accuracy for the pinna shape conformations (true-positive identifications 91.67–100%), whereas a two-dimensional convolutional neural network operating on echo spectrograms still achieves 90% accuracy. These findings demonstrate that even small pinna deformations can impart consistent effects on the clutter echoes.

蝙蝠基于生物声纳在茂密的植被中导航,必须从“杂波回波”中获得关于环境的感官信息,即来自许多未解决的反射面(如树叶)的叠加回波,这些回波具有不可预测的单个波形。先前的研究结果表明,耳廓变形有助于基于确定性回波模式的传感任务的执行,这就提出了一个问题,即不同的耳廓形状是否也对杂波回波的生物声纳任务具有功能意义。为了验证这一假设,这项工作调查了不同的耳廓形状是否对杂波回波有一致的影响,尽管这些信号是随机的。这是通过一个专门的实验室设置来完成的,通过在回波记录之间用风扇搅拌人造树叶来产生大量不相关的杂波回波数据。然后,深度学习使用数据驱动的分类方法识别接收给定杂波回波的耳廓形状,该方法直接从回波中学习特征,而无需明确的物理建模。ResNet-50对耳廓形状构象的总体分类准确率达到97.8%(真阳性识别率为91.67-100%),而基于回波谱图的二维卷积神经网络仍然达到90%的准确率。这些发现表明,即使很小的耳廓变形也能对杂波回波产生一致的影响。
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引用次数: 0
Remora-Inspired Sensing Suction Cup with Adhesion Monitoring and Force Detection 具有粘附监测和力检测的䲟鱼感应吸盘
IF 6.1 Q1 AUTOMATION & CONTROL SYSTEMS Pub Date : 2025-10-02 DOI: 10.1002/aisy.202500557
Yuchen Liu, Bocheng Tian, Feiyang Yuan, Lei Li, Yinuo Cheng, Fuqiang Yang, Youning Duo, Li Wen

Perching robots offer an effective solution to the energy limitations of small robots during long-duration missions. However, without integrated sensing capabilities, they are prone to failure in complex environments. This study presents a remora-inspired sensing suction cup to enhance adhesion reliability for robots in complex aerial–aquatic conditions. Mimicking remora fish, the design incorporates liquid metal microchannel sensors arranged at 90° intervals to monitor lip deformation, enabling real-time assessment of adhesion state and force distribution. The optimized suction cup morphology improves deformation sensitivity, while the integrated sensor system operates effectively in both aquatic and aerial environments. Performance tests demonstrate that the sensors exhibit nonlinear but repeatable responses, with 2° bending resolution and stable operation over 1,000 cycles despite minor hysteresis. Experimental results confirm that the four-directional sensor array can reflect adhesion status and horizontal force detection, validating the design's feasibility. When deployed on an aerial–aquatic robot, the system successfully enables real-time leakage detection, lateral disturbance detection, and environmental tactile sensing. This bioinspired approach enhances the environmental adaptability and operational reliability of robots, offering a robust solution for maintaining attachment in complex conditions and significantly enhances the applicability of such systems in robotic applications.

栖息机器人为解决小型机器人在执行长时间任务时能量不足的问题提供了有效的解决方案。然而,如果没有集成的传感能力,它们在复杂的环境中容易失效。本研究提出了一种受䲟鱼启发的感应吸盘,以提高机器人在复杂的空水条件下的粘附可靠性。该设计模仿移鱼,采用90°间隔的液态金属微通道传感器来监测唇部变形,从而实时评估粘附状态和力分布。优化后的吸盘形态提高了变形灵敏度,同时集成传感器系统在水中和空中环境下都能有效工作。性能测试表明,传感器具有非线性但可重复的响应,具有2°弯曲分辨率,并且在1,000次循环中稳定运行,尽管存在较小的滞后。实验结果证实,该四方向传感器阵列能够反映附着状态和水平力检测,验证了设计的可行性。当部署在水上机器人上时,该系统成功地实现了实时泄漏检测、横向干扰检测和环境触觉传感。这种仿生方法增强了机器人的环境适应性和运行可靠性,为在复杂条件下保持附着提供了强大的解决方案,并显著提高了此类系统在机器人应用中的适用性。
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引用次数: 0
Soft Magnetic Sensor Array for Amphibious Measurement of 3D Muscle Deformation Distribution for Human Motion Recognition 用于人体运动识别的两栖测量肌肉三维变形分布的软磁传感器阵列
IF 6.1 Q1 AUTOMATION & CONTROL SYSTEMS Pub Date : 2025-10-01 DOI: 10.1002/aisy.202500315
Yuchao Liu, Zihan Chen, Chuxuan Guo, Zijie Liu, Yibin Chen, Xuan Wu, Zhuo Li, Qining Wang, Jiajie Guo

Skeletal muscles are the primary power source for voluntary limb joint motions, thus muscle deformation (MD) is vital to reflect human motions. However, most sensors can capture only 1D MD features, and are suitable only for on-land scenarios, leading to the under evaluation and under exploitation of MD sensing. This article develops a 4 × 4 soft magnetic sensor array (SMSA) to capture 3D MD distribution. Compared to solid structures, the used porous elastomer mitigates hydraulic pressure disturbances by half within 0–100-m water depth, while sensitivity increases by 10 times. The SMSA has consistent amphibious measurements and about 200 ms faster response than inertial measurement units (IMUs). Mapping between 3D magnetic flux densities and deformations of elastomers is justified by calibration errors within 1% of full ranges. Experiments justify the proposed method in multiple environments, muscles, motions, and subjects. Average gait classification accuracy is 98.73%, and phase estimation error is 2.85% when using only one SMSA, which is better than existing commercial sensors (with 82.40% and 10.39% for one IMU, and 89.06% and 6.33% for one flexible resistive sensor array). The proposed method can contribute to muscle state monitoring for human–machine interaction, rehabilitation engineering, and sports science.

骨骼肌是肢体随意关节运动的主要动力来源,因此肌肉变形(MD)对反映人体运动至关重要。然而,大多数传感器只能捕获一维MD特征,并且仅适用于陆地场景,导致MD传感的评估和开发不足。本文研制了一种4 × 4软磁传感器阵列(SMSA),用于捕获三维MD分布。与固体结构相比,所使用的多孔弹性体在0- 100米水深范围内减轻了一半的水压干扰,而灵敏度提高了10倍。SMSA具有一致的两栖测量和比惯性测量单元(imu)快约200毫秒的响应。三维磁通密度和弹性体变形之间的映射是通过在全量程的1%以内的校准误差来证明的。实验在多种环境、肌肉、运动和对象中证明了所提出的方法。仅使用一个SMSA时,步态分类的平均准确率为98.73%,相位估计误差为2.85%,优于现有商用传感器(一个IMU的误差分别为82.40%和10.39%,一个柔性电阻传感器阵列的误差分别为89.06%和6.33%)。该方法可用于人机交互、康复工程和运动科学的肌肉状态监测。
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引用次数: 0
Data-Driven Insights into Rare Earth Mineralization: Machine Learning Applications Using Functional Material Synthesis Data 数据驱动的稀土矿化洞察:使用功能材料合成数据的机器学习应用
IF 6.1 Q1 AUTOMATION & CONTROL SYSTEMS Pub Date : 2025-09-27 DOI: 10.1002/aisy.202500518
Juejing Liu, Xiaoxu Li, Yifu Feng, Zheming Wang, Kevin M. Rosso, Xiaofeng Guo, Xin Zhang

Understanding rare-earth element (REE) mineralization mechanisms is essential for developing efficient separation strategies. Although the geochemical pathways that generate REE deposits are qualitatively known, quantitative links between specific conditions and mineralization outcomes remain limited. Herein, the repurpose laboratory REE hydrothermal synthesis data—originally collected for functional-materials fabrication—as a surrogate for studying mineralization with data-driven methods. The compiled 1,200+ hydrothermal reaction records and trained three machine-learning models—K-nearest neighbors (KNN), random forest (RF), and extreme gradient boosting (XGB)—to predict product elements and phases from precursors, additives, reaction conditions, and engineered features. Validation shows XGB achieves the highest accuracy. Feature importance indicates thermodynamic properties of cations and anions dominate model decisions. Correlations reveal positive relationships among precursor concentration, reaction time, pH, and temperature, consistent with classical crystallization behavior. XGB-based regressors are built to predict crystallization temperature and pH from precursor/product attributes. Performance is strongest when similar training examples exist, while accuracy declines for underrepresented reactions, notably REE carbonates and heavy-REE systems. Overall, the study shows that functional-materials datasets can illuminate REE mineralization and provide priors for exploration and processing. Expanding datasets with less-studied chemistries and conditions will improve generality and support deposit discovery and more efficient REE recovery.

了解稀土元素(REE)矿化机制对于制定有效的分离策略至关重要。虽然生成稀土矿床的地球化学途径是定性已知的,但特定条件与成矿结果之间的定量联系仍然有限。在此,重新利用实验室稀土水热合成数据-最初收集用于功能材料制造-作为数据驱动方法研究矿化的替代方法。编译了1200多个热液反应记录,并训练了三种机器学习模型——k近邻(KNN)、随机森林(RF)和极端梯度增强(XGB)——从前体、添加剂、反应条件和工程特征中预测产品元素和相。验证表明XGB达到了最高的精度。特征重要性表明,正离子和阴离子的热力学性质决定了模型的决定。前驱体浓度、反应时间、pH和温度呈正相关关系,符合经典结晶行为。建立了基于xgb的回归器来预测前驱体/产物属性的结晶温度和pH。当存在类似的训练示例时,性能最强,而对于代表性不足的反应,特别是REE碳酸盐和重REE系统,准确性下降。综上所述,功能物质数据集可以阐明稀土成矿作用,为勘探和处理提供依据。扩大化学成分和条件研究较少的数据集将提高通用性,并支持矿床发现和更有效的REE回收。
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引用次数: 0
期刊
Advanced intelligent systems (Weinheim an der Bergstrasse, Germany)
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