Results 51 to 60 of about 33,486 (254)

Evaluation of Provincial Economic Resilience in China Based on the TOPSIS-XGBoost-SHAP Model

Journal of Mathematics, 2023
The aim of this research is to propose a framework for measuring and analysing China’s economic resilience based on the XGBoost machine learning algorithm, using Bayesian optimization (BO) algorithm, extreme gradient-boosting (XGBoost) algorithm, and ...
Zhan Wu
doaj   +1 more source

Self‐Assembled Monolayers in p–i–n Perovskite Solar Cells: Molecular Design, Interfacial Engineering, and Machine Learning–Accelerated Material Discovery

Advanced Materials, EarlyView.
This review highlights the role of self‐assembled monolayers (SAMs) in perovskite solar cells, covering molecular engineering, multifunctional interface regulation, machine learning (ML) accelerated discovery, advanced device architectures, and pathways toward scalable fabrication and commercialization for high‐efficiency and stable single‐junction and
Asmat Ullah, Ying Luo, Stefaan De Wolf
wiley   +1 more source

Prediction of Compressive Strength of Geopolymer Concrete Landscape Design: Application of the Novel Hybrid RF–GWO–XGBoost Algorithm

Buildings
Landscape geopolymer concrete (GePoCo) with environmentally friendly production methods not only has a stable structure but can also effectively reduce environmental damage. Nevertheless, GePoCo poses challenges with its intricate cementitious matrix and
Jun Zhang, Ranran Wang, Yijun Lu, Jiandong Huang   +3 more
doaj   +1 more source

Organic Materials of Tomorrow: Horizons of Artificial Intelligence

Advanced Materials, EarlyView.
This review examines machine learning techniques accelerating the discovery of organic semiconductors by linking molecular structure to properties. Key methods include graph neural networks, generative models, and active learning. Applications to organic photovoltaics demonstrate practical impact.
Harold Mena, J. Terence Blaskovits, Kun‐Han Lin, Denis Andrienko   +3 more
wiley   +1 more source

An Integrated NLP‐ML Framework for Property Prediction and Design of Steels

Advanced Science, EarlyView.
This study presents a data‐driven framework that uses language‐processing techniques to interpret steel processing descriptions and machine‐learning models to predict mechanical properties. By organising complex process histories into meaningful groups and enabling rapid property forecasts, the work supports faster, more informed steel design through ...
Kiran Devraju, Adithya Umanath Rai, Jose Thomson, Marzie Ghorbani, Shujing Zhao, Nick Birbilis   +5 more
wiley   +1 more source

Research and application of XGBoost in imbalanced data

International Journal of Distributed Sensor Networks, 2022
As a new and efficient ensemble learning algorithm, XGBoost has been widely applied for its multitudinous advantages, but its classification effect in the case of data imbalance is often not ideal.
Ping Zhang, Yiqiao Jia, Youlin Shang
doaj   +1 more source

Physics‐Embedded Neural Network: A Novel Approach to Design Polymeric Materials

Advanced Science, EarlyView.
Traditional black‐box models for polymer mechanics rely solely on data and lack physical interpretability. This work presents a physics‐embedded neural network (PENN) that integrates constitutive equations into machine learning. The approach ensures reliable stress predictions, provides interpretable parameters, and enables performance‐driven, inverse ...
Siqi Zhan, Hengheng Zhao, Haotian Wang, Zhanjie Liu, Qian Li, Weifeng Zhang, Qingsong Zhao, Liqun Zhang, Jun Liu   +8 more
wiley   +1 more source

Classification of Breast Cancer on the Strength of Potential Risk Factors with Boosting Models: A Public Health Informatics Application

Haseki Tıp Bülteni, 2022
Aim:The diagnosis of breast cancer can be accomplished using an algorithm or an early detection model of breast cancer risk via determining factors. In the present study, gradient boosting machines (GBM), extreme gradient boosting (XGBoost) and light ...
Sami Akbulut, Ipek Balikci Cicek, Cemil Colak   +2 more
doaj   +1 more source

Performance–Complexity Trade‐Offs in Battery Lifetime Prediction with Task‐Aware Transformers

Advanced Science, EarlyView.
FAST‐BatPro integrates convolutional feature extraction, flash Attention, and sparse attention for efficient battery lifetime prediction. Using limited early‐cycle data across multiple chemistries and operating conditions, it achieves robust accuracy while reducing inference latency, computational cost, and energy consumption.
Jingyuan Zhao, Misheng Cai, Zhenghong Wang, Yan Wang, Yuqi Li, Bo Dong, Hewu Wang, Andrew F. Burke, Simona Onori, Stephen J. Harris   +9 more
wiley   +1 more source

Efficient Screening of Organic Singlet Fission Molecules Using Graph Neural Networks

Advanced Science, EarlyView.
A high‐throughput screening framework based on graph neural networks (GNNs) and multi‐level validation facilitates the identification of singlet fission (SF) candidates. By efficiently predicting excitation energies across 20 million molecules, and integrating TDDFT calculations, synthetic accessibility assessments, and GW+BSE calculations, this ...
Li Fu, Longfei Lv, Fan Zhang, Si Zhou, Weiwei Gao, Jijun Zhao   +5 more
wiley   +1 more source