activity
20232025
most citedGradual Optimization Learning for Conformational Energy Minimization

2 citations · 2 across the 5 of their papers we have counts for

collaborators

5 papers

cs.LG2025

Adaptive Destruction Processes for Diffusion Samplers

Timofei Gritsaev, Nikita Morozov, Kirill Tamogashev +5

This paper explores the challenges and benefits of a trainable destruction process in diffusion samplers -- diffusion-based generative models trained to sample an unnormalised dens…

cs.CV2024

Regularized Distribution Matching Distillation for One-step Unpaired Image-to-Image Translation

Denis Rakitin, Ivan Shchekotov, Dmitry Vetrov

Diffusion distillation methods aim to compress the diffusion models into efficient one-step generators while trying to preserve quality. Among them, Distribution Matching Distillat…

cs.LG2024

Improving GFlowNets with Monte Carlo Tree Search

Nikita Morozov, Daniil Tiapkin, Sergey Samsonov +2

Generative Flow Networks (GFlowNets) treat sampling from distributions over compositional discrete spaces as a sequential decision-making problem, training a stochastic policy to c…

physics.chem-ph2023★ 2 cited

Gradual Optimization Learning for Conformational Energy Minimization

Artem Tsypin, Leonid Ugadiarov, Kuzma Khrabrov +7

Molecular conformation optimization is crucial to computer-aided drug discovery and materials design. Traditional energy minimization techniques rely on iterative optimization meth…

cs.LG2023

Generative Flow Networks as Entropy-Regularized RL

Daniil Tiapkin, Nikita Morozov, Alexey Naumov +1

The recently proposed generative flow networks (GFlowNets) are a method of training a policy to sample compositional discrete objects with probabilities proportional to a given rew…