Results 171 to 180 of about 21,778 (301)

fastkqr: A Fast Algorithm for Kernel Quantile Regression. [PDF]

J Comput Graph Stat
Tang Q, Gu Y, Wang B.
europepmc   +1 more source

Decoding Spatial Heterogeneity and Multi‐Omics Regulation with Hierarchical Graph Learning

Advanced Science, EarlyView.
ABSTRACT Recent advances in spatial multi‐omics technologies have enabled the simultaneous profiling of multiple molecular layers within the same tissue slice, providing unprecedented opportunities to investigate tissue spatial organization. However, most existing computational methods identify spatial domains in a purely data‐driven manner, rarely ...
Jiazhou Chen, Jiahui Xie, Yi Liao, Junyu Li, Longqi Liu, Xin Gao, Hongmin Cai   +6 more
wiley   +1 more source

Local Quadrupole Ellipticity as Predictor of Anion-Affinity in Nanographenes. [PDF]

J Comput Chem
Charapale O, Posada-Pérez S, Poater A, Solà M.   +3 more
europepmc   +1 more source

Deciphering the Dynamic Balance Between Solvation Strength and Polysulfides Reaction Heterogeneity in Practical Lithium‐Sulfur Batteries

Advanced Science, EarlyView.
A weakly solvating fluorinated cosolvent (1200ET) enables precise solvation‐power regulation in Li–S batteries, decoupling interfacial stabilization from sulfur redox kinetics. This approach suppresses polysulfide dissolution while preserving reaction kinetics, leading to a stable Li metal interface and high‐energy multilayer pouch cells, revealing a ...
Huidong Dai, Pranathi Garlapati, Srinidi Badhrinathan, Luisa Gomes, Tongtai Ji, Dominik Wierzbicki, Yonghua Du, Neville Pavri, Sanjeev Mukerjee, Gaind P. Pandey   +9 more
wiley   +1 more source

ecg2o: a seamless extension of g2o for equality-constrained factor graph optimization. [PDF]

Front Robot AI
Abdelkarim A, Görges D, Voos H.
europepmc   +1 more source

Hadamard Matrix Slicing Single‐Pixel Imaging: Establishing a Linear‐Array‐Inspired Paradigm for N‐fold Acceleration Single‐Pixel Imaging

Advanced Science, EarlyView.
To overcome two‐dimensional modulation bottlenecks, Hadamard Matrix Slicing Single‐Pixel Imaging (HMS‐SPI) establishes an efficient one‐dimensional imaging paradigm. By slicing the traditional Hadamard matrix into one‐dimensional encoding vectors and spatially expanding them, the required measurement patterns decrease by a factor of N.
Xiaoxue Li, Jieting Hou, Qizheng Zhao, Yiqi Jia, Xiang Zhong, Mengchao Ma, Huaxia Deng, Xinglong Gong, Ziwei Wang   +8 more
wiley   +1 more source

Overrepresentation Bias Leads to Performance Overestimation in Blood-Brain Barrier Permeability Prediction Models: Characterization and Mitigation. [PDF]

J Chem Inf Model
Ferri P, García-Gómez JM.
europepmc   +1 more source

Diffusion‐Based Generative Model With Scaffold‐Hopping Strategy Yields Highly Potent Bioactive Molecules

Advanced Science, EarlyView.
SMarT‐Diff introduces a multi‐objective generative paradigm that integrates scaffold hopping with structure‐aware scoring to enable controlled exploration beyond the training distribution. The framework consistently balances drug‐likeness, synthesizes accessibility and bioactivity, yielding chemically diverse candidates with enhanced properties.
Yuwei Yang, Xiaoqing Gong, Shukai Gu, Jing Li, Bo Liu, Yanan Tian, Qianqian Zhang, Xiaojun Yao, Huanxiang Liu   +8 more
wiley   +1 more source

Tree Tensor Network Simulation of Dynamical Quantum Phase Transitions in the 2D Transverse-Field Ising Model. [PDF]

Entropy (Basel)
Zhang X, Xie D, Li Y.
europepmc   +1 more source

V2CTx MXene as a Sacrificial Promoter for NiFe Catalyst for Anion Exchange Membrane Electrolyzers

Advanced Science, EarlyView.
These findings demonstrate that V2CTx functions beyond passive conductive support as an active electronic participant whose structural legacy sustains durable performance even after vanadium leaching in Anion Exchange Membrane (AEM) Electrolysers. ABSTRACT Nickel‐iron layered double hydroxides (NiFe‐LDH) show excellent activity, their poor conductivity
Bastian Schmiedecke, Can Kaplan, Karuppasamy Dharmaraj, Axel Zuber, Merve Buldu‐Aktürk, Ningjun Chen, Mailis Lounasvuori, Xuyun Guo, Valeria Nicolosi, Thorsten Schultz, Norbert Koch, Johanna Rosen, Michelle P. Browne   +12 more
wiley   +1 more source