Results 111 to 120 of about 8,049,750 (250)

Multiferroic‐Centric Materials and Systems Engineering for Battery Applications: An Insight Into Mechanisms, Strategies, and Characterizations

Advanced Science, EarlyView.
Multiferroic order parameters – polarization, magnetization, and ferroelastic strain – are positioned as dynamic design variables for batteries. Their mechanistic roles, practical tuning through fabrication and external fields, and ferroic‐resolved characterization routes are unified into a closed‐loop framework, revealing how coupled ferroic responses
Jiaqi Su, Yanda Zhu, Hao Peng, Manman Li, Xuzihan Zhang, Meixiao Wu, Siyuan Zhang, Yuhan Zeng, Jiwen Liao, Ming Luo, Hetaishan Huang, Yutong Wang, Sean Li, Wenxian Li   +13 more
wiley   +1 more source

An inductive knowledge graph embedding via combination of subgraph and type information. [PDF]

Sci Rep, 2023
Liu H, Chen Y, He P, Zhang C, Wu H, Zhang J.   +5 more
europepmc   +1 more source

Polarization Dynamics in Ferroelectrics: Insights Enabled by Machine Learning Molecular Dynamics

Advanced Science, EarlyView.
Machine learning molecular dynamics is presented as a route to capture polarization switching, domain wall kinetics, topological polar textures, and polar mechanical coupling beyond the limits of conventional atomistic methods. This Perspective surveys recent progress and identifies key methodological directions, including long‐range electrostatics ...
Dongyu Bai, Ri He, Junxian Liu, Liangzhi Kou   +3 more
wiley   +1 more source

A Generative Neuro‐Symbolic AI for Protein Sequence Design

Advanced Science, EarlyView.
We introduce EffieDes, a neuro‐symbolic framework coupling deep learning‐based fitness landscape parameterization with exact automated reasoning. Unlike greedy sampling, EffieDes identifies sequences that globally optimize fitness while satisfying intricate design constraints.
Marianne Defresne, Delphine Dessaux, Samuel Buchet, Lucie Barthe, Liza Ammar‐Khodja, Bessam Azizi, Valentin Durante, Gianluca Cioci, Simon de Givry, Alain Roussel, Luis F. Garcia‐Alles, Thomas Schiex, Sophie Barbe   +12 more
wiley   +1 more source

Marie and BERT-A Knowledge Graph Embedding Based Question Answering System for Chemistry. [PDF]

ACS Omega, 2023
Zhou X, Zhang S, Agarwal M, Akroyd J, Mosbach S, Kraft M.   +5 more
europepmc   +1 more source

Knowledge Graph Embedding for Hierarchical Entities Based on Auto-Embedding Size

Mathematics
Knowledge graph embedding represents entities and relations as low-dimensional continuous vectors. Recently, researchers have attempted to leverage the potential semantic connections between entities with hierarchical relationships in the knowledge graph.
Pengfei Zhang, Xiaoxue Zhang, Yang Fang, Jinzhi Liao, Wubin Ma, Zhen Tan, Weidong Xiao   +6 more
doaj   +1 more source

Development and Applications of a Magnetism‐Aware General‐Purpose Atomic Cluster Expansion Potential for the Fe‐O‐H Ternary System

Advanced Science, EarlyView.
Hydrogen‐driven iron oxide reduction, water‐iron corrosion, and hydrogen embrittlement of metallic iron share the same Fe‐O‐H chemistry. A general‐purpose Atomic Cluster Expansion potential covers this chemistry across the full concentration range with explicit Ising‐like treatment of magnetism.
Baptiste Bienvenu, Mira Todorova, Jörg Neugebauer, Dierk Raabe, Matous Mrovec, Ralf Drautz   +5 more
wiley   +1 more source

Assessing the effects of hyperparameters on knowledge graph embedding quality. [PDF]

J Big Data, 2023
Lloyd O, Liu Y, R Gaunt T.
europepmc   +1 more source

Deciphering Anti‐Cancer Drug Efficacy Through Nanomechanical Vibrations in Living Gastric Cancer Organoids

Advanced Science, EarlyView.
This study developed an efficacy assessment platform that integrates patient‐derived gastric cancer organoids, atomic force microscopy (AFM)‐based nanomechanical vibration detection, deep learning analysis, and organoid mechanical modeling. It detects picomolar drug effects within 0.1 s signal, achieves 97% classification accuracy, and offers non ...
Ting Zhang, Qiubo Chen, Shihai Lan, Liang Zhu, Shuaiyu Liu, Yan Xia, Yalu Zhang, Hanhui Yao, Yongman Liu, Shangquan Wu, Qingchuan Zhang   +10 more
wiley   +1 more source

Artificial Intelligence‐Guided Phenotypic Drug Repurposing Against Streptococcus pneumoniae

Advanced Science, EarlyView.
Integrated artificial intelligence (AI) ensembles identify highly potent repurposed drugs against Streptococcus pneumoniae. Prospective virtual screening of 6747 drugs uncovers nine active candidates, including thiostrepton. This drug exhibits low picomolar potency and bypasses established resistance in multidrug‐resistant strains, demonstrating an ...
Joshua S. Fitch, Muhammad D. Ariadi, Min Jung Kwun, Leonie Howells, Saiveth Hernandez‐Hernandez, Nicholas J. Croucher, Pedro J. Ballester   +6 more
wiley   +1 more source