Results 111 to 120 of about 69,930 (266)

De Novo Design of Membrane‐Targeting Antimicrobial Peptides Against Gram‐Negative Bacteria Using a Generative Artificial Intelligence Framework

Advanced Science, EarlyView.
Antimicrobial resistance caused by Gram‐negative bacteria remains difficult to overcome due to the protective outer membrane. To address this challenge, a multi‐condition constrained generative AI framework, GenMTAMP is proposed for de novo membrane‐targeting antimicrobial peptide design by integrating physicochemical and spatial structure descriptors.
Jingxiao Yu, Da‐Wen Sun, QingYi Wei, Yibing Zhang, Jidong Tang, Hongbin Pu   +5 more
wiley   +1 more source

RPHF-GNN: Recurrent Perception of History-Future Graph Neural Networks for Temporal Knowledge Graph Reasoning

IEEE Access
TKG (Temporal Knowledge Graph) reasoning has become a hot research topic in recent years. its purpose is to predict the future by modeling historical information. However, existing research has primarily focused on comprehending the patterns and rules of
Siling Feng, Zimin Ye, Qian Liu, Mengxing Huang   +3 more
doaj   +1 more source

Accurately Deciphering Tissue Heterogeneity From Spatial Multi‐Modal and Multi‐Omics With STransformer

Advanced Science, EarlyView.
STransformer is a unified deep learning framework designed to seamlessly accommodate a comprehensive landscape of spatial data. By simultaneously capturing short‐range cellular interactions and tissue‐wide semantic patterns, it extracts robust representations to accurately dissect complex tissue heterogeneity.
Xingyi Li, Jialuo Xu, Gaoyuan Du, Xiangting Jia, Dongmin Zhao, Chunyan Zhou, Kexin Xiao, Jia Gu, Junnan Zhu, Xuequn Shang   +9 more
wiley   +1 more source

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

Pharmacological Inhibition of FKBP51 Mitigates Early Life Adversity‐Induced Social Deficits in Male Mice

Advanced Science, EarlyView.
Early life adversity triggers persistent social subordination and brain‐wide molecular dysregulation. Pharmacological inhibition of the stress‐mediator FKBP51 during the adversity period prevents these long‐term deficits and restores normative social hierarchy.
Joeri Bordes, Xiuqi Ji, Serena Gasperoni, Choham Sudre‐Chinsky, Amirali Kalbasi, Daniela Harbich, Cornelia Flachskamm, Paula Fontanet, Sowmya Narayan, Manfred Uhr, Christian Namendorf, Camilla Bellone, Alon Chen, Felix Hausch, Juan Pablo Lopez, Mathias V. Schmidt   +15 more
wiley   +1 more source

CauFinder: Steering Cell‐State and Phenotype Transitions by Causal Disentanglement Learning

Advanced Science, EarlyView.
CauFinder combines causal disentanglement modeling and network control to prioritize causal drivers of cell‐state transitions from observational transcriptomic data. The framework separates transition‐relevant signals from spurious associations, nominates intervention targets across biological and disease contexts, and identifies DAAM1 as an actionable
Chengming Zhang, Zexi Chen, Yuanxiang Miao, Zuolin Shen, Deyu Cai, Shijie Tang, Yun Xue, Weifeng Guo, Hongbin Ji, Jian Liu, Kazuyuki Aihara, Luonan Chen   +11 more
wiley   +1 more source

Dual‐Module Near‐Infrared Fluorophores Discovery System via Knowledge Transfer

Advanced Science, EarlyView.
This study presents a dual‐module deep learning system for the design of near‐infrared (NIR) fluorophores. A large molecular library is generated and analyzed, leading to the suggestions of promising candidates. The effectiveness of the system is further validated through the synthesis, characterization, and in vivo imaging, demonstrating its potential
Yixin Zhu, Xia Ling, Xianhe Zhang, Chuanjiang Jian, Leilei Shi, Wentao Song, Xiaonan Wang, Bin Liu   +7 more
wiley   +1 more source

Causal‐Guided Ultra‐Long‐Term Time Series Forecasting Via Anticipated Covariates

Advanced Science, EarlyView.
Often treated as unknown, information from the future remains underutilized.We demonstrate that in a coupled dynamical system, providing the future state of the effect enables accurate forecasting of the cause for a long timesteps. A time series forecasting paradigm that introduces anticipated covariates to represent such known future states is ...
Jintong Zhao, Yufei Liu, Ruixi Huang, Zhongxue Gan, Siyang Leng   +4 more
wiley   +1 more source

CALENDAR+: in-context contrastive learning for temporal knowledge graph reasoning

Complex & Intelligent Systems
Temporal Knowledge Graph (TKG) reasoning aims to infer future events from historical facts. Recent advances in large language models (LLMs) have shown that in-context learning can effectively enhance temporal reasoning.
Xingyi Li, Jiapeng Wang, Boyuan Jia, Xiang Cheng, Sen Su   +4 more
doaj   +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