Results 121 to 130 of about 39,156 (266)

Artificial Intelligence for Fluorite Ferroelectric Materials: From Discovery to Optimization

Advanced Electronic Materials, EarlyView.
Artificial intelligence accelerates the discovery and optimization of HfO2‐based fluorite ferroelectrics by linking synthesis, structure, properties, and device performance. Machine learning, deep‐learning analysis, and AI‐driven atomistic modeling enable predictive design, dopant screening, and closed‐loop optimization toward next‐generation ...
Faizan Ali, David Lehninger, Florencio Sánchez, Ignasi Fina   +3 more
wiley   +1 more source

A Relationship-Aware Feature Update Method for Enhanced Graph-Based Neural Networks

IEEE Access
This paper presents a novel feature update method that leverages the relationships among batch elements, addressing scenarios both with and without an external graph.
Conggui Huang
doaj   +1 more source

Smart Exploration of Perovskite Photovoltaics: From AI Driven Discovery to Autonomous Laboratories

Advanced Energy Materials, EarlyView.
In this review, we summarize the fundamentals of AI in automated materials science, and review AI applications in perovskite solar cells. Then, we sum up recent progress in AI‐guided manufacturing optimization, and highlight AI‐driven high‐throughput and autonomous laboratories.
Wenning Chen, Zheyu Zhang, Kelvian T. Mularso, Bonghyun Jo, Hyun Suk Jung   +4 more
wiley   +1 more source

Machine Learning Interatomic Potentials for Energy Materials: Architectures, Training Strategies, and Applications

Advanced Energy Materials, EarlyView.
Machine learning interatomic potentials bridge quantum accuracy and computational efficiency for materials discovery. Architectures from Gaussian process regression to equivariant graph neural networks, training strategies including active learning and foundation models, and applications in solid‐state electrolytes, batteries, electrocatalysts ...
In Kee Park, Saeed Pourasad, Jinhong Mun, Arunkumar Chitteth Rajan, Tae Hyeon Park, Anand Rohit, Mohammad Zafari, Tan‐Lien Pham, Eunjae Jung, Bonseung Koo, Miran Ha, Gi Beom Sim, Hyun Gyu Park, Won Woong Choi, Kwanghyeon Jo, Soohaeng Yoo Willow, David ChangMo Yang, Chang Woo Myung, Geunsik Lee, Kwang S. Kim   +19 more
wiley   +1 more source

Artificial Intelligence–Based Surgical Phase Analysis Enables Objective Assessment of Surgeon Skill in Robotic Distal Gastrectomy: A Multicenter Study

Annals of Gastroenterological Surgery, EarlyView.
ABSTRACT Aim Artificial intelligence (AI)–based surgical video analysis can automate time‐consuming manual assessments and enable objective characterization of surgical workflows. We aimed to construct a large, multicenter, fully annotated dataset of robotic distal gastrectomy (RDG) videos and evaluate the feasibility and performance of an AI model for
Masaru Komatsu, Daichi Kitaguchi, Yoichi Ninomiya, Yuya Takabe, Mitsumasa Yoshida, Masahiro Yura, Nobuyoshi Takeshita, Takahiro Kinoshita, Masaaki Ito   +8 more
wiley   +1 more source

SigmaFormer: Augmenting transformer encoders with COSMO sigma profiles for pure component property prediction

AIChE Journal, EarlyView.
Abstract Transformer‐based molecular models pretrained on SMILES strings demonstrate strong performance in property prediction. However, these model often lack explicit integration of molecular surface charge distributions that govern intermolecular interactions such as hydrogen bonding and polarity.
Tae Hyun Kim, Silabrata Pahari, Joseph Sang‐Il Kwon   +2 more
wiley   +1 more source

Cross-device fault diagnosis method based on graph convolution and multi-sensor fusion

Jixie qiangdu
ObjectiveTo address the problems of difficulty in obtaining labeled fault data for mechanical equipment and low diagnosis accuracy caused by different probability distributions of cross-device data in actual production, a cross-device fault diagnosis ...
SUN Yuanshuai, KONG Fanqin, NIE Xiaoyin, XIE Gang   +3 more
doaj   +2 more sources

Robust graph structure learning to improve multi-omics cancer subtype classification

BMC Bioinformatics
Background Classifying cancer patients into consistent subtypes at the multi-omics level remains a significant challenge in advancing precision medicine.
Mengke Guo, Xiucai Ye, Tetsuya Sakurai
doaj   +1 more source

Harnessing Large Language Models to Advance Microbiome Research: From Sequence Analysis to Clinical Applications

Advanced Intelligent Discovery, EarlyView.
Large language models are transforming microbiome research by enabling advanced sequence profiling, functional prediction, and association mining across complex datasets. They automate microbial classification and disease‐state recognition, improving cross‐study integration and clinical diagnostics.
Jieqi Xing, He Wang, Yangyang Sun, Xiaoquan Su, Shunyao Wu   +4 more
wiley   +1 more source

Accelerating Primary Screening of USP8 Inhibitors from Drug Repurposing Databases with Tree‐Based Machine Learning

Advanced Intelligent Discovery, EarlyView.
This study introduces a tree‐based machine learning approach to accelerate USP8 inhibitor discovery. The best‐performing model identified 100 high‐confidence repurposable compounds, half already approved or in clinical trials, and uncovered novel scaffolds not previously studied. These findings offer a solid foundation for rapid experimental follow‐up,
Yik Kwong Ng, Sharon Ai Er Lam, Wei Chun Lim, Hannah Hui Min Toh, Shi Jun Ang   +4 more
wiley   +1 more source