Results 51 to 60 of about 37,640 (313)

Revisiting Target‐Aware de novo Molecular Generation with TarPass: Between Rational Design and Texas Sharpshooter

Advanced Science, EarlyView.
TarPass provides a rigorous benchmark for target‐aware de novo molecular generation by jointly evaluating protein‐ligand interactions, molecular plausibility, and drug‐likeness on 18 well‐studied targets. Results show that current models often fail to consistently surpass random baseline in target‐specific enrichment, while post hoc multi‐tier virtual ...
Rui Qin, Zijie Chen, Yurong Li, Meijing Fang, Longji Shen, Yilong Su, Odin Zhang, Qinghan Wang, Qun Su, Jike Wang, Tingjun Hou, Yu Kang   +11 more
wiley   +1 more source

PSubCLUS: A Parallel Subspace Clustering Algorithm Based On Spark

IEEE Access, 2021
Clustering is one of the most important unsupervised machine learning tasks. It is widely used to solve problems of intrusion detection, text analysis, image segmentation etc.
Xiao Wen, Hu Juan
doaj   +1 more source

Pipelined, Flexible Krylov Subspace Methods [PDF]

SIAM Journal on Scientific Computing, 2016
We present variants of the Conjugate Gradient (CG), Conjugate Residual (CR), and Generalized Minimal Residual (GMRES) methods which are both pipelined and flexible. These allow computation of inner products and norms to be overlapped with operator and nonlinear or nondeterministic preconditioner application.The methods are hence aimed at hiding network
Patrick Sanan, Sascha M. Schnepp, Dave A. May   +2 more
openaire   +2 more sources

Combining Spatial Multi‐Omics Data to Decipher Spatial Domains and Elucidate Cell Heterogeneity Based on Self‐Supervised Graph Learning

Advanced Science, EarlyView.
A self‐supervised multi‐view graph fusion framework integrates spatial multi‐omics, excelling in domain identification and denoising. It reconstructs spatial pseudo‐expression, jointly analyzes multi‐omics data, infers RNA velocity, predicts spatial omics features from single‐cell multi‐omics, and detects spatially dark genes and transcription factors,
Yuejing Lu, Rui Qiao, Ying Li, Junhong Li, Nuoya Yue, Jing Ge, Jiao Wang, Luonan Chen, Peiluan Li   +8 more
wiley   +1 more source

Spot Position Extraction Based on High-resolution Parametric Subspace Method without Eigen decomposition

Wasit Journal of Engineering Sciences, 2013
This paper presents a subspace method of spot centroiding algorithm for locating the centers of laser spots. It focuses on how to find the position of the activated pixel which is the position of the imaged spot on the detector of the camera using ...
Azad Raheem Kareem
doaj   +1 more source

ProSiteHunter: A Unified Framework for Sequence‐Based Prediction of Protein‐Nucleic Acid and Protein‐Protein Binding Sites

Advanced Science, EarlyView.
This study proposed a unified sequence‐based framework for protein binding site prediction, which adopted a tri‐track semantic multi‐source feature fusion strategy to effectively capture diverse macromolecular interaction sites and further improved the accuracy of antibody‐antigen interaction prediction.
Dongliang Hou, Qihang Zhen, Zexin Lv, Xinyue Cui, Suhui Wang, Minghua Hou, Zhan Zhou, Xiaogen Zhou, Guijun Zhang   +8 more
wiley   +1 more source

A Phase‐Resolved Geometric Deep Learning Framework Maps Structural Determinants of Disease‐Associated Protein Aggregation and Guides Suppressor Design

Advanced Science, EarlyView.
SKALE 2.0 maps disease‐associated protein aggregation as a phase‐resolved structural process, linking mutation‐induced geometric perturbations to nucleation, elongation, and suppressor design. Across neurodegenerative proteins, the framework reveals cryptic aggregation vulnerabilities, separates phase‐concordant and phase‐switching mutations, and ...
Jia Shen Sio, Wei Xuan Wilson Loo, Yan Shan Loo, Wen Xin Tan, Hui Xuan Lim, Huitao Liu, Chen Seng Ng   +6 more
wiley   +1 more source

Subspace-based AOA estimation in mmWave NR system using power measurement with a single-port antenna array

, 2022
The paper is dedicated to the multipath angle of arrival (AOA) estimation problem in millimeter wave (mmWave) 5G NR communication system. The case of a phased antenna array with a single digital port is considered.
Vitaliy Kuptsov (12493297), Hao Wang (12493304), Kirill Ponur (12493301), Sergey Trushkov (12493299), Anatoliy Krivelevich (12493310), Georgij Serebryakov (12493303), Oleg Shmonin (12493294), Jiankun Zhang (12493307)   +7 more
core   +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

Concurrent Subspace Optimization Method for Wing Layout Design

Hangkong gongcheng jinzhan, 2019
The layout merits of wing internals can influence the weight of wing structure greatly, so it is necessary to perform the layout optimization design. The concurrent subspace optimization method is used to solve the layout optimization problem of wings ...
Wang Yi, Yao Weixing, Liu Meng
doaj   +1 more source