This research demonstrates that the combination of domain knowledge–based multiple regression, multi‐objective Bayesian optimization, and generative models is a suitable prediction tool for candidates of high refractive index polymers, even with the constraints in the model trained on limited data. The experimental validation can reproduce the proposed
Takuya Yokoo +3 more
wiley +1 more source
Modeling Oxidative Stress-Linked Telogen Effluvium Using Monte Carlo Simulation of Published Trichoscopy Norms and Cannabis Exposure Distributions. [PDF]
Chadha A, Burmeister M, Poelker-Wells S.
europepmc +1 more source
MolMiner: Toward Controllable, Three‐Dimensional‐Aware, Fragment‐Based Molecular Design
MolMiner is a fragment‐based, geometry‐aware, and order‐agnostic generative model for molecular design with strong inductive biases. Using symmetry‐aware fragment assembly, dynamic three‐dimensional geometry, and multi‐property conditioning, MolMiner enables interpretable and controllable molecular generation.
Raul Ortega‐Ochoa +2 more
wiley +1 more source
Impact of self-efficacy on food waste reduction and its consequences in the solid waste economy using Monte Carlo simulation. [PDF]
Nejadsadeghi E +4 more
europepmc +1 more source
Predicting Performance of Hall Effect Ion Source Using Machine Learning
This study introduces HallNN, a machine learning tool for predicting Hall effect ion source performance using a neural network ensemble trained on data generated from numerical simulations. HallNN provides faster and more accurate predictions than numerical methods and traditional scaling laws, making it valuable for designing and optimizing Hall ...
Jaehong Park +8 more
wiley +1 more source
The dosimetric effect of photon target degradation on C-series linear accelerators using Monte Carlo simulation. [PDF]
Deng Y, Qiu M, Zhong J, Xiao Z.
europepmc +1 more source
A volatile‐switching compact model of electrochemical metallization memory cells for neuromorphic architecture is developed and validated by reliable reproduction of device characterization measurements: I−V sweeps, SET kinetics, relaxation dynamics.
Rana Walied Ahmad +4 more
wiley +1 more source
Monte Carlo simulation approach for health risk analysis of heavy metals' contamination in infant formula and food on the Iranian market. [PDF]
Rahati S +5 more
europepmc +1 more source
Explainable artificial intelligence (XAI) guides selective electrode activation in retinal prostheses by emphasizing visually informative regions. XAI‐assisted phosphene generation maintains object recognition performance while significantly reducing stimulation power.
Sein Kim, Hamin Shim, Maesoon Im
wiley +1 more source
Potentially toxic metals in small ruminant tissues: multivariate analysis and health risk assessment via Monte Carlo simulation. [PDF]
Fathi-Beyranvand A +4 more
europepmc +1 more source

