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
Estimation of Detailed Cardiac Doses for Pediatric Radiation Therapy Patients in National Wilms Tumor Study. [PDF]
Lee C +14 more
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
Distance-adaptive geometric margins for residual rotational uncertainty in single-isocenter multitarget stereotactic radiosurgery. [PDF]
Deng J +11 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
Generation of 3D reference dosimetric datasets towards adoption of model-based dose calculations for permanent implant prostate brachytherapy. [PDF]
Akbari F +8 more
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
Comparative evaluation of the Mayo Clinic Florida microdosimetric kinetic model and mMKM for carbon ion treatment planning: A matRad-based analysis. [PDF]
Hartzell S +12 more
europepmc +1 more source
The phase discontinuity problem—where the cyclic nature of phase angles causes catastrophic errors near the ±π boundary—is a fundamental obstacle in learning‐based reconfigurable intelligent surface (RIS) optimization. A phase‐aware hybrid CNN–LSTM framework resolves this by decomposing phase predictions into sine–cosine components, mapping circular ...
Seda Savaşçı Şen +3 more
wiley +1 more source
Neural Quantum States Based on Selected Configurations. [PDF]
Julian Solanki M, Ding L, Reiher M.
europepmc +1 more source

