Results 201 to 210 of about 6,810,610 (247)

Construction of Sabatier Volcanoes for CO2 Hydrogenation to C1‐2 Oxygenates Using Data‐Efficient Machine Learning

Advanced Science, EarlyView.
A new data‐efficient framework combining DFT calculations, a neural network model, and automated graph analysis of catalytic reaction networks is proposed and applied to CO2 hydrogenation on transition metal nanoparticles. The analysis shows how efficient C2 oxygenate production requires a balance between CHx formation, C–C coupling, protonation, and ...
Mikhail V. Polynski, Sergey M. Kozlov
wiley   +1 more source

TP-GCL: graph contrastive learning from the tensor perspective. [PDF]

Front Neurorobot
Li M, Meng L, Ye Z, Yang Y, Cao S, Xiao Y, Zhao H.   +6 more
europepmc   +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

Graph contrastive learning as a versatile foundation for advanced scRNA-seq data analysis. [PDF]

Brief Bioinform
Zhang Z, Liu Y, Xiao M, Wang K, Huang Y, Bian J, Yang R, Li F.   +7 more
europepmc   +1 more source

Condition‐Associated Pattern Extraction and Recovery From Multi‐Condition Single‐Cell RNA‐seq Data With CAPER

Advanced Science, EarlyView.
Decoupling biological signals from unwanted variation in multi‑condition single‑cell RNA sequencing data remains challenging. CAPER disentangles condition‑associated biological effects from sample heterogeneity through matrix factorization, producing interpretable latent factors and a batch‑corrected expression matrix.
Ye Li, Jin Ning, An Wang, Minxi Shi, Yuanze Chen, Guoliang Liu, Shiquan Sun   +6 more
wiley   +1 more source

Deep graph contrastive learning model for drug-drug interaction prediction. [PDF]

PLoS One
Jiang Z, Gong Z, Dai X, Zhang H, Ding P, Shen C.   +5 more
europepmc   +1 more source

Physics‐Informed Neural Network‐Enabled Forward Prediction and Inverse Design of Ring Origami

Advanced Science, EarlyView.
This work presents a KRT‐PINN framework that integrates Kirchhoff rod theory with physics‐informed neural networks for the forward prediction and inverse design of ring origami consisting of closed‐loop rods. The framework predicts stable states of segmented rings with prescribed natural‐curvature profiles and determines the natural‐curvature profiles ...
Luyuan Ning, Lu Lu, Sophie Leanza, Ruike Renee Zhao   +3 more
wiley   +1 more source

Self-supervised graph contrastive learning with diffusion augmentation for functional MRI analysis and brain disorder detection. [PDF]

Med Image Anal
Wang X, Fang Y, Wang Q, Yap PT, Zhu H, Liu M.   +5 more
europepmc   +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

Deconvolution of spatial transcriptomics data via graph contrastive learning and partial least square regression. [PDF]

Brief Bioinform
Mo Y, Liu J, Zhang L.
europepmc   +1 more source