Results 61 to 70 of about 28,119 (261)

Machine Learning Accelerated Non‐Adiabatic Molecular Dynamics Elucidates Local Polarization Effects on Non‐radiative Recombination in Halide Perovskites

Advanced Science, EarlyView.
This work proposes and constructs the Hefei‐NAMD‐S framework based on machine learning stacked models to investigate the relationship between local polarization and non‐radiative recombination. The results indicate that, compared with A‐site local polarization, B‐site local polarization shows a more evident association with the non‐radiative ...
Bing Yang, Xiaoli Wei, Bo Cai, Yan Yang, Xinghai Zhu, Yi Liu, Junmin Xia, Lihui Liu, Kun Cao, Wei Shen, Pengfei Xia, Shufen Chen, Siyu Chen, Jin Zhao   +13 more
wiley   +1 more source

Forecasting the monthly incidence rate of brucellosis in west of Iran using time series and data mining from 2010 to 2019.

PLoS ONE, 2020
BACKGROUND:The identification of statistical models for the accurate forecast and timely determination of the outbreak of infectious diseases is very important for the healthcare system.
Hadi Bagheri, Leili Tapak, Manoochehr Karami, Zahra Hosseinkhani, Hamidreza Najari, Safdar Karimi, Zahra Cheraghi   +6 more
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

Discriminator‐Guided Inverse Folding for Multi‐Property Protein Design

Advanced Science, EarlyView.
Discriminator‐Guided Inverse Folding (DGIF) integrates multiple property predictors trained from single‐property datasets to guide protein sequence generation from a backbone structure. DGIF enables simultaneous improvement of thermostability and solubility without requiring multi‐property annotated datasets and generates designs that move toward the ...
Yuchuan Zheng, Chuyi Liu, Zhaoming Liu, Mao Su, Chenyu Tang, Xiang Zheng, Hao Zhang, Jingyuan Li   +7 more
wiley   +1 more source

Universal Equivariant Multilayer Perceptrons

CoRR, 2020
Group invariant and equivariant Multilayer Perceptrons (MLP), also known as Equivariant Networks, have achieved remarkable success in learning on a variety of data structures, such as sequences, images, sets, and graphs. Using tools from group theory, this paper proves the universality of a broad class of equivariant MLPs with a single hidden layer. In
openaire   +3 more sources

Circulating Amino Acid Network Remodeling Reveals Systemic Metabolic Reprogramming Predictive of Colorectal Cancer Recurrence and Metastasis

Advanced Science, EarlyView.
Blood‐based amino acid patterns measured by 19F NMR reveal hidden metabolic changes in colorectal cancer. By analyzing how these amino acids interact as a network, machine learning models identify patients at higher risk of recurrence and metastasis.
Ji‐Yeon Lee, Jumi Kim, Taehan Yoon, So Hyun Kwon, Su Chan Park, Dohyun Chun, Dohyeong Kim, Eun Jung Park, Hyunwoo Kim, Ji Min Lee   +9 more
wiley   +1 more source

Machine‐Learning‐Enhanced Printed Vertical Magnetoresistive Sensors for Transparent, Flexible, Multimodal Interactive Magnetoelectronics

Advanced Science, EarlyView.
This study presents printed magnetoresistive sensors with a vertically aligned architecture that enables high optical transparency and mechanical flexibility. By integrating deep learning for the analysis of complex spatiotemporal signal patterns, the system further achieves intelligent multimodal interaction capabilities.
Rui Xu, Guannan Mu, Oleksandr V. Pylypovskyi, Qihao Zhang, Rico Illing, René Hübner, Ran He, Andreas Knüpfer, Sebastian Lehmann, Olha Bezsmertna, Kornelius Nielsch, Denys Makarov   +11 more
wiley   +1 more source

Mixture of Multilayer Perceptron Regressions

Proceedings of the 8th International Conference on Pattern Recognition Applications and Methods, 2019
This paper investigates mixture of multilayer perceptron (MLP) regressions. Although mixture of MLP regressions (MoMR) can be a strong fitting model for noisy data, the research on it has been rare. We employ soft mixture approach and use the Expectation-Maximization (EM) algorithm as a basic learning method. Our learning method goes in a double-looped
Ryohei Nakano, Seiya Satoh
openaire   +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

Retinomorphic Visual Processing Enabled by Contact‐Engineered IGZO Optoelectronic Synaptic Memtransistors

Advanced Science, EarlyView.
Here, we present an optoelectronic synaptic memtransistor (OSMT) integrating photoresponsive IGZO with contact‐engineered HfO2, enabling electrically and optically tunable synaptic weights. The device demonstrates broad range of tunable conductance states and array‐level image processing, highlighting its potential for intelligent machine vision ...
Donghyun Kang, San Nam, Dayul Nam, In‐Soo Kim, Myung‐Gil Kim, Sung Kyu Park, Yong‐Hoon Kim   +6 more
wiley   +1 more source