Results 131 to 140 of about 47,079 (313)

On Optimizing Hyperparameters for Quantum Neural Networks

2024 IEEE International Conference on Quantum Computing and Engineering (QCE)
The increasing capabilities of Machine Learning (ML) models go hand in hand with an immense amount of data and computational power required for training. Therefore, training is usually outsourced into HPC facilities, where we have started to experience limits in scaling conventional HPC hardware, as theorized by Moore's law.
Sabrina Herbst, Vincenzo De Maio, Ivona Brandic   +2 more
openaire   +2 more sources

Interpretable Machine Learning Framework for Nb─Si Based Alloy Design with Enhanced Fracture Toughness

Advanced Science, EarlyView.
An interpretable machine learning framework integrating SHAP and PDP analysis identifies critical design descriptors from 139 physicochemical features for Nb─Si alloys. The framework achieves <7% prediction error and guides the discovery of Nb38.5Ti38.5Si3Zr18V2 alloy with 22.791 MPa·m1/2 fracture toughness, breaking the 20 MPa·m1/2 barrier.
Dezhi Chen, Chao Xu, Jingyue Yu, Qi Wang, Hongze Fang, Shuo Yin, Turab Lookman, Ruirun Chen   +7 more
wiley   +1 more source

Artificial Intelligence‐Based Body Composition Analysis Reveals Sex‐Specific Prognostic Markers and Their Clinical Value in Gastric Cancer: A Multicenter Study

Advanced Science, EarlyView.
This study applied AI to quantify multidimensional body composition from CT images in gastric cancer and healthy controls. Distinct sex‐specific patterns and disease‐related alterations were identified and were associated with survival. Higher muscle and fat measures were linked to improved outcomes.
Tianxiang Li, Tingting Liu, Qian Yang, Zhiqing Zhang, Xiaofang Guo, Xiang Wang, Yihan Zhang, Limin Ge, Yu Su, Wenjun Wu, Weihua Guo, Zheng Wang, Lian Yang, Yanfeng Niu   +13 more
wiley   +1 more source

stMixer for Scalable Mosaic Integration and Label Transfer in Spatial Histology and Multi‐Omics

Advanced Science, EarlyView.
stMixer is an unsupervised framework for scalable integration and label transfer across spatial histology and multi‐slide multi‐omics data with incomplete modality overlap. It combines self‐looped cross‐attention, multimodal metric learning, and graph‐guided cluster voting to align heterogeneous sections, correct batch effects, and propagate ...
Qixing Yang, Yan Wang, Luonan Chen, Chunman Zuo   +3 more
wiley   +1 more source

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

Development of physical property prediction models for polypropylene composites with optimizing random forest hyperparameters [PDF]

, 2021
Chonghyo Joo, Hyundo Park, Jongkoo Lim, Hyungtae Cho, Junghwan Kim   +4 more
openalex   +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

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

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

Machine Learning‐Assisted KCl‐CaCl2‐LiCl Electrolyte Design for Low‐Temperature, High‐Performance Calcium‐Based Liquid Metal Batteries

Advanced Science, EarlyView.
A machine learning‐assisted framework optimizes the KCl‐CaCl2‐LiCl ternary electrolyte. The optimized 13:35:52 mol% composition enables Ca‐based liquid metal batteries to operate stably at 480 °C, with >99.5% coulombic efficiency, ultralow self‐discharge, and excellent cycling stability, advancing low‐temperature large‐scale energy storage.
Xinglin Zhou, Lei Huang, Yan Zhou, Xiaohui Ning   +3 more
wiley   +1 more source