Results 201 to 210 of about 402,340 (284)

FIRE‐GNN: Force‐Informed, Relaxed Equivariance Graph Neural Network for Rapid and Accurate Prediction of Surface Properties

Advanced Intelligent Discovery, EarlyView.
This study introduces FIRE‐GNN, a force‐informed, relaxed equivariant graph neural network for predicting surface work functions and cleavage energies from slab structures. By incorporating surface‐normal symmetry breaking and machine learning interatomic potential‐derived force information, the approach achieves state‐of‐the‐art accuracy and enables ...
Circe Hsu, Claire Schlesinger, Karan Mudaliar, Jordan Leung, Robin Walters, Peter Schindler   +5 more
wiley   +1 more source

Diagnostic Features and Prescription Rules of Influenza-Like Illnesses in Traditional Chinese Medicine: A Data Mining Approach. [PDF]

J Multidiscip Healthc
Liu X, Chang R, Feng S, Deng G, Zhou L.
europepmc   +1 more source

Sampling Strategy: An Overlooked Factor Affecting Artificial Intelligence Prediction Accuracy of Peptides’ Physicochemical Properties

Advanced Intelligent Discovery, EarlyView.
This study reveals that sampling strategy (i.e., sampling size and approach) is a foundational prerequisite for building accurate and generalizable AI models in peptide discovery. Reaching a threshold of 7.5% of the total tetrapeptide sequence space was essential to ensure reliable predictions.
Meiru Yan, Ankeer Abuduhebaier, Haojin Zhou, Jiaqi Wang   +3 more
wiley   +1 more source

Characterization of the stress level of university students using data mining algorithms. [PDF]

Front Res Metr Anal
Reina Marín Y, Quiñones Huatangari L, Cruz Caro O, Sánchez Bardales E, Alva Tuesta JN, Maicelo Guevara JL, Chávez Santos R.   +6 more
europepmc   +1 more source

ChatCFD: A Large Language Model‐Driven Agent for End‐to‐End Computational Fluid Dynamics Automation with Structured Knowledge and Reasoning

Advanced Intelligent Discovery, EarlyView.
Chat computational fluid dynamics (CFD) introduces an large language model (LLM)‐driven agent that automates OpenFOAM simulations end‐to‐end, attaining 82.1% execution success and 68.12% physical fidelity across 315 benchmarks—far surpassing prior systems.
E Fan, Kang Hu, Zhuowen Wu, Jiangyang Ge, Jiawei Miao, Yuzhi Zhang, He Sun, Weizong Wang, Tianhan Zhang   +8 more
wiley   +1 more source

Analyzing multidrug resistance patterns across the food supply chain using association rule mining. [PDF]

Prev Vet Med
Glass JC, Anil G, Zehr JD, Ceres KM, Goodman LB, Cazer CL.   +5 more
europepmc   +1 more source

Self‐Driving Laboratory Optimizes the Lower Critical Solution Temperature of Thermoresponsive Polymers

Advanced Intelligent Discovery, EarlyView.
A low‐cost, self‐driving laboratory is developed to democratize autonomous materials discovery. Using this "frugal twin" hardware architecture with Bayesian optimization, the platform rapidly converges to target lower critical solution temperature (LCST) values while self‐correcting from off‐target experiments, demonstrating an accessible route to data‐
Guoyue Xu, Renzheng Zhang, Tengfei Luo
wiley   +1 more source

From data mining to experimental validation: ST36 and CV12 as core acupoint combination for acupuncture in functional dyspepsia. [PDF]

Front Med (Lausanne)
Jia J, Zhong Z, Li T, He M, Sun M, He J, Wang X, Nie R, Cao J, Dong G.   +9 more
europepmc   +1 more source

Automating AI Discovery for Biomedicine Through Knowledge Graphs and Large Language Models Agents

Advanced Intelligent Discovery, EarlyView.
This work proposes a novel framework that automates biomedical discovery by integrating knowledge graphs with multiagent large language models. A biologically aligned graph exploration strategy identifies hidden pathways between biomedical entities, and specialized agents use this pathway to iteratively design AI predictors and wet‐lab validation ...
Naafey Aamer, Muhammad Nabeel Asim, Shan Munir, Andreas Dengel   +3 more
wiley   +1 more source

Exploring psychological symptom associations among people living with HIV using an apriori algorithm. [PDF]

BMC Infect Dis
Hu J, Zhou J, Han S, Li Y, Xie X, Wu D, Wang X, Guo H, Zhang L.   +8 more
europepmc   +1 more source