Transitioning From Federated Learning to Quantum Federated Learning in Internet of Things: A Comprehensive Survey
Quantum Federated Learning (QFL) recently becomes a promising approach with the
potential to revolutionize Machine Learning (ML). It merges the established strengths of …
potential to revolutionize Machine Learning (ML). It merges the established strengths of …
Diffusion-based generative AI for exploring transition states from 2D molecular graphs
The exploration of transition state (TS) geometries is crucial for elucidating chemical reaction
mechanisms and modeling their kinetics. Recently, machine learning (ML) models have …
mechanisms and modeling their kinetics. Recently, machine learning (ML) models have …
Riemannian Denoising Score Matching for Molecular Structure Optimization with Accurate Energy
This study introduces a modified score matching method aimed at generating molecular
structures with high energy accuracy. The denoising process of score matching or diffusion …
structures with high energy accuracy. The denoising process of score matching or diffusion …