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20212025
most citedOrb-v3: atomistic simulation at scale

29 citations · 37 across the 6 of their papers we have counts for

collaborators

6 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★ 29 cited

Orb-v3: atomistic simulation at scale

Benjamin Rhodes, Sander Vandenhaute, Vaidotas Šimkus +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★ 1 cited

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…

cs.LG2023★ 1 cited

Conditional Sampling of Variational Autoencoders via Iterated Approximate Ancestral Sampling

Vaidotas Simkus, Michael U. Gutmann

Conditional sampling of variational autoencoders (VAEs) is needed in various applications, such as missing data imputation, but is computationally intractable. A principled choice…

cs.IR2022★ 6 cited

Learning Job Titles Similarity from Noisy Skill Labels

Rabih Zbib, Lucas Alvarez Lacasa, Federico Retyk +5

Measuring semantic similarity between job titles is an essential functionality for automatic job recommendations. This task is usually approached using supervised learning techniqu…

cs.LG2021

Variational Gibbs Inference for Statistical Model Estimation from Incomplete Data

Vaidotas Simkus, Benjamin Rhodes, Michael U. Gutmann

Statistical models are central to machine learning with broad applicability across a range of downstream tasks. The models are controlled by free parameters that are typically esti…