Frank Noe
13 papers · 2016–2024 · 3 venues · across top CS/AI venues
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🗺️ Taxonomy Completionist (22) 🌍 Conference Polyglot · Bronze 🐣 Hot Topic Early Bird 🌉 Interdisciplinary Bridge · Bronze 🏃 Academic Marathon · Sprint
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(6)
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Research topics
Machine Learning
(12)
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(9)
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(8)
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(7)
Optimization & Theory
(5)
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(4)
Artificial Intelligence
(3)
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(3)
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(2)
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(2)
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(2)
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(1)
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(1)
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Keywords
normalizing flow
(7)
molecular dynamics
(6)
equivariant neural network
(3)
boltzmann generator
(3)
variational inference
(3)
stochastic process
(2)
transfer learning
(2)
generative model
(2)
meta-stable state
(2)
markov chain monte carlo
(2)
graph neural network
(2)
markov chain
(1)
graph representation learning
(1)
probability distribution
(1)
importance sampling
(1)
optimal transport
(1)
representation learning
(1)
dynamical system
(1)
deep learning
(1)
probability density estimation
(1)
Papers
Doob's Lagrangian: A Sample-Efficient Variational Approach to Transition Path Sampling
NeurIPS 2024
Navigating the Design Space of Equivariant Diffusion-Based Generative Models for De Novo 3D Molecule Generation
ICLR 2024
Transferable Boltzmann Generators
NeurIPS 2024
Equivariant flow matching
NeurIPS 2023
Rigid Body Flows for Sampling Molecular Crystal Structures
ICML 2023
Timewarp: Transferable Acceleration of Molecular Dynamics by Learning Time-Coarsened Dynamics
NeurIPS 2023
Unsupervised Learning of Group Invariant and Equivariant Representations
NeurIPS 2022
Permutation-Invariant Variational Autoencoder for Graph-Level Representation Learning
NeurIPS 2021
Smooth Normalizing Flows
NeurIPS 2021
Equivariant Flows: Exact Likelihood Generative Learning for Symmetric Densities
ICML 2020
Stochastic Normalizing Flows
NeurIPS 2020
Deep Generative Markov State Models
NeurIPS 2018
Spectral Learning of Dynamic Systems from Nonequilibrium Data
NeurIPS 2016