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Stiefel Flow Matching for Moment-Constrained Structure Elucidation
Molecular structure elucidation is a fundamental step in understanding chemical
phenomena, with applications in identifying molecules in natural products, lab syntheses …
phenomena, with applications in identifying molecules in natural products, lab syntheses …
LEAPS: A discrete neural sampler via locally equivariant networks
We propose LEAPS, an algorithm to sample from discrete distributions known up to
normalization by learning a rate matrix of a continuous-time Markov chain (CTMC). LEAPS …
normalization by learning a rate matrix of a continuous-time Markov chain (CTMC). LEAPS …
Discrete Markov Probabilistic Models
This paper introduces the Discrete Markov Probabilistic Model (DMPM), a novel algorithm
for discrete data generation. The algorithm operates in the space of bits $\{0, 1\}^ d $, where …
for discrete data generation. The algorithm operates in the space of bits $\{0, 1\}^ d $, where …