Results 201 to 210 of about 113,531 (269)

Advanced Experiment Design Strategies for Drug Development

Advanced Intelligent Discovery, EarlyView.
Wang et al. analyze 592 drug development studies published between 2020 and 2024 that applied design of experiments methodologies. The review surveys both classical and emerging approaches—including Bayesian optimization and active learning—and identifies a critical gap between advanced experimental strategies and their practical adoption in ...
Fanjin Wang, Anthony Harker, Mohan Edirisinghe, Maryam Parhizkar   +3 more
wiley   +1 more source

Machine learning with hyperparameter optimization applied in facies-supported permeability modeling in carbonate oil reservoirs. [PDF]

Sci Rep
Al-Mudhafar WJ, Hasan AA, Abbas MA, Wood DA.   +3 more
europepmc   +1 more source

Toward Knowledge‐Guided AI for Inverse Design in Manufacturing: A Perspective on Domain, Physics, and Human–AI Synergy

Advanced Intelligent Discovery, EarlyView.
This perspective highlights how knowledge‐guided artificial intelligence can address key challenges in manufacturing inverse design, including high‐dimensional search spaces, limited data, and process constraints. It focused on three complementary pillars—expert‐guided problem definition, physics‐informed machine learning, and large language model ...
Hugon Lee, Hyeonbin Moon, Junhyeong Lee, Seunghwa Ryu   +3 more
wiley   +1 more source

Integration of nested cross-validation, automated hyperparameter optimization, high-performance computing to reduce and quantify the variance of test performance estimation of deep learning models. [PDF]

Comput Methods Programs Biomed
Calle P, Bates A, Reynolds JC, Liu Y, Cui H, Ly S, Wang C, Zhang Q, de Armendi AJ, Shettar SS, Fu KM, Tang Q, Pan C.   +12 more
europepmc   +1 more source

Accelerating Primary Screening of USP8 Inhibitors from Drug Repurposing Databases with Tree‐Based Machine Learning

Advanced Intelligent Discovery, EarlyView.
This study introduces a tree‐based machine learning approach to accelerate USP8 inhibitor discovery. The best‐performing model identified 100 high‐confidence repurposable compounds, half already approved or in clinical trials, and uncovered novel scaffolds not previously studied. These findings offer a solid foundation for rapid experimental follow‐up,
Yik Kwong Ng, Sharon Ai Er Lam, Wei Chun Lim, Hannah Hui Min Toh, Shi Jun Ang   +4 more
wiley   +1 more source

Enhancing machine learning performance in cardiac surgery ICU: Hyperparameter optimization with metaheuristic algorithm. [PDF]

PLoS One
Bahrami A, Rakhshaninejad M, Ghousi R, Atashi A.   +3 more
europepmc   +1 more source

A Generalized Framework for Data‐Efficient and Extrapolative Materials Discovery for Gas Separation

Advanced Intelligent Discovery, EarlyView.
This study introduces an iterative supervised machine learning framework for metal‐organic framework (MOF) discovery. The approach identifies over 97% of the best performing candidates while using less than 10% of available data. It generalizes across diverse MOF databases and gas separation scenarios.
Varad Daoo, Jayant K. Singh
wiley   +1 more source

MSPO: A machine learning hyperparameter optimization method for enhanced breast cancer image classification. [PDF]

Digit Health
Li H, Govindarajan V, Ang TF, Shaikh ZA, Ksibi A, Chen YL, Ku CS, Leong MC, Shabaruddin FH, Wan Ishak WZ, Por LY.   +10 more
europepmc   +1 more source

Computer Vision Pipeline for Image Analysis for Freeze‐Fracture Electron Microscopy: Rosette Cellulose Synthase Complexes Case

Advanced Intelligent Discovery, EarlyView.
This paper presents a computer vision (deep learning) pipeline integrating YOLOv8 and YOLOv9 for automated detection, segmentation, and analysis of rosette cellulose synthase complexes in freeze‐fracture electron microscopy images. The study explores curated dataset expansion for model improvement and highlights pipeline accuracy, speed ...
Siri Mudunuri, Leala Carbonneau, Eric M. Roberts, Alison W. Roberts, Candace H. Haigler, Alexey V. Gulyuk, Yaroslava G. Yingling   +6 more
wiley   +1 more source

SADASNet: A Selective and Adaptive Deep Architecture Search Network with Hyperparameter Optimization for Robust Skin Cancer Classification. [PDF]

Diagnostics (Basel)
İlker G, Özkan İ.
europepmc   +1 more source