ASTRA reframes transition-state search as guided diffusion inference that samples the isodensity surface between metastable basins and converges to first-order saddles via score differences and physical forces.
In: Forty-second International Conference on Machine Learning (2025)
1 Pith paper cite this work. Polarity classification is still indexing.
1
Pith paper citing it
fields
physics.chem-ph 1years
2026 1verdicts
CONDITIONAL 1representative citing papers
citing papers explorer
-
A Priori Sampling of Transition States with Guided Diffusion
ASTRA reframes transition-state search as guided diffusion inference that samples the isodensity surface between metastable basins and converges to first-order saddles via score differences and physical forces.