3 papers
cs.LG2025
CFMI: Flow Matching for Missing Data Imputation
Vaidotas Simkus, Michael U. Gutmann
We introduce conditional flow matching for imputation (CFMI), a new general-purpose method to impute missing data. The method combines continuous normalising flows, flow-matching,…
cond-mat.mtrl-sci2025
Orb-v3: atomistic simulation at scale
Benjamin Rhodes, Sander Vandenhaute, Vaidotas Å imkus +4
We introduce Orb-v3, the next generation of the Orb family of universal interatomic potentials. Models in this family expand the performance-speed-memory Pareto frontier, offering…
cs.LG2024
Improving Variational Autoencoder Estimation from Incomplete Data with Mixture Variational Families
Vaidotas Simkus, Michael U. Gutmann
We consider the task of estimating variational autoencoders (VAEs) when the training data is incomplete. We show that missing data increases the complexity of the model's posterior…