Results 171 to 180 of about 161,383 (266)

Monte Carlo Method and GA-MLR-Based QSAR Modeling of NS5A Inhibitors against the Hepatitis C Virus. [PDF]

Molecules, 2022
Liman W, Oubahmane M, Hdoufane I, Bjij I, Villemin D, Daoud R, Cherqaoui D, El Allali A.   +7 more
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

Simulation and Analysis of Imaging Process of Phosphor Screens for X-Ray Imaging of Streak Tube Using Geant4-Based Monte Carlo Method. [PDF]

Sensors (Basel)
Wang Z, Lin R, Liao Y, Tang L, Wu Z, Liu D, Zhong R, Zhang K.   +7 more
europepmc   +1 more source

Gaussian Process Regression–Neural Network Hybrid with Optimized Redundant Coordinates: A New Simple Yet Potent Tool for Scientist's Machine Learning Toolbox

Advanced Intelligent Discovery, EarlyView.
A machine learning method, opt‐GPRNN, is presented that combines the advantages of neural networks and kernel regressions. It is based on additive GPR in optimized redundant coordinates and allows building a representation of the target with a small number of terms while avoiding overfitting when the number of terms is larger than optimal.
Sergei Manzhos, Manabu Ihara
wiley   +1 more source

Comparison of Guide to Expression of Uncertainty in Measurement and Monte Carlo Method for Evaluating Gauge Factor Calibration Test Uncertainty of High-Temperature Wire Strain Gauge. [PDF]

Sensors (Basel)
Zhao Y, Zhang F, Ai Y, Tian J, Wang Z.
europepmc   +1 more source

Harnessing Machine Learning to Understand and Design Disordered Solids

Advanced Intelligent Discovery, EarlyView.
This review maps the dynamic evolution of machine learning in disordered solids, from structural representations to generative modeling. It explores how deep learning and model explainability transform property prediction into profound physical insight.
Muchen Wang, Yue Fan
wiley   +1 more source

Design and Validation of a Monte Carlo Method for the Implementation of Noninvasive Wearable Devices for HbA1c Estimation Considering the Skin Effect. [PDF]

Micromachines (Basel)
Kwon TH, Hossain S, Turja MS, Kim KD.
europepmc   +1 more source

Why Physics Still Matters: Improving Machine Learning Prediction of Material Properties With Phonon‐Informed Datasets

Advanced Intelligent Discovery, EarlyView.
Phonons‐informed machine‐learning predictive models are propitious for reproducing thermal effects in computational materials science studies. Machine learning (ML) methods have become powerful tools for predicting material properties with near first‐principles accuracy and vastly reduced computational cost.
Pol Benítez, Cibrán López, Edgardo Saucedo, Teruyasu Mizoguchi, Claudio Cazorla   +4 more
wiley   +1 more source

Stochastic Gauss-Newton method for estimating absorption and scattering in optical tomography with the Monte Carlo method for light transport. [PDF]

Biomed Opt Express
Kangasniemi J, Mozumder M, Pulkkinen A, Tarvainen T.   +3 more
europepmc   +1 more source

Factorization Machine with Iterative Quantum Reverse Annealing: A Python Package for Batch Black‐Box Optimization With Reverse Quantum Annealing

Advanced Intelligent Discovery, EarlyView.
Factorization machine with iterative quantum reverse annealing (FMIRA) leverages quantum reverse annealing to perform batch black‐box optimization. Factorization machine with quantum annealing (FMQA) is a widely used python package for solving black‐box optimization problems using D‐Wave quantum annealers.
Andrejs Tučs, Ryo Tamura, Koji Tsuda
wiley   +1 more source