Building Normalizing Flows with Stochastic Interpolants
A continuous-time normalizing flow using stochastic interpolants and quadratic loss to bypass costly ODE …
Diffusion
Flow Straight and Fast
A unified ODE-based framework for generative modeling and domain transfer that learns straight paths for fast 1-step …
Score-Based Generative Modeling with SDEs
Unified SDE framework for score-based generative models, introducing Predictor-Corrector samplers and achieving SOTA on …
OCSAug: Diffusion-Based Augmentation for Hand-Drawn OCSR
A diffusion-based data augmentation pipeline (OCSAug) using DDPM and RePaint to improve optical chemical structure …
Copper Adatom Diffusion on Cu(100): LAMMPS Simulation
LAMMPS molecular dynamics simulation of copper adatom diffusion on a Cu(100) surface, showing atomic mobility …
Platinum Adatom Diffusion on Pt(100) Surface
LAMMPS tutorial for platinum adatom diffusion simulation and ML training data. Learn how heavier atoms behave …
Platinum Adatom Diffusion on Pt(100): LAMMPS Simulation
LAMMPS molecular dynamics simulation of platinum adatom diffusion on a Pt(100) surface, showing atomic mobility …
Automated Adatom Diffusion Workflow
Python-wrapped reference implementation for surface diffusion simulations using LAMMPS and EAM potentials, with …