Results 191 to 200 of about 724,229 (291)

The Interoperability Challenge in DFT Workflows Across Implementations

open access: yesAdvanced Intelligent Discovery, EarlyView.
Interoperability and cross‐validation remain major challenges in the computational materials science. In this work, we introduce a common input/output standard that enables internal translation across multiple workflow managers—AiiDA, PerQueue, Pipeline Pilot, and SimStack—while producing results in a unified schema.
Simon K. Steensen   +13 more
wiley   +1 more source

Data driven selection of consensus docking pipelines for structure based hit identification. [PDF]

open access: yesNPJ Drug Discov
Agha H   +6 more
europepmc   +1 more source

An Autonomous Large Language Model‐Agent Framework for Transparent and Local Time Series Forecasting

open access: yesAdvanced Intelligent Discovery, EarlyView.
Architecture of the proposed large language model (LLM)‐based agent framework for autonomous time series forecasting in thermal power generation systems. The framework operates through a vertical pipeline initiated by natural language queries from users, which are processed by the LLM Agent Core powered by Llama.cpp and a ReAct loop with persistent ...
William Gouvêa Buratto   +5 more
wiley   +1 more source

Automated Bacterial Identification and Morphological Feature Analysis in Low‐Dose Cryo‐EM Using YOLOv11

open access: yesAdvanced Intelligent Discovery, EarlyView.
AI‐based tools enable rapid characterization of bacterial ultrastructure in low‐dose cryogenic transmission electron microscopy. The envelope thickness tool quantifies membrane thickness and anisotropy. The flagella module analyzes filament morphology and detects cell‐flagella contacts.
Sita Sirisha Madugula   +10 more
wiley   +1 more source

AI‐Driven Cancer Multi‐Omics: A Review From the Data Pipeline Perspective

open access: yesAdvanced Intelligent Discovery, EarlyView.
The exponential growth of cancer multi‐omics data brings opportunities and challenges for precision oncology. This review systematically examines AI's role in addressing these challenges, covering generative models, integration architectures, Explainable AI for clinical trust, clinical applications, and key directions for clinical translation.
Shilong Liu, Shunxiang Li, Kun Qian
wiley   +1 more source

Novel online fabric color difference detection system based on machine vision. [PDF]

open access: yesSci Rep
Wang JH   +5 more
europepmc   +1 more source

Machine‐Learning‐Assisted Onset‐Time Determination in Transient Luminescence Thermometry

open access: yesAdvanced Intelligent Discovery, EarlyView.
Artificial neural networks enable autonomous extraction of onset times from transient heating curves in luminescence thermometry. Using Ln3+‐doped upconverting nanoparticles as luminescent thermometers, we combine experimental transients with physically motivated synthetic curves to enhance data diversity and improve generalization.
David J. Sousa   +3 more
wiley   +1 more source

Home - About - Disclaimer - Privacy