Nicholas Gao
9 papers · 2020–2025 · 3 venues · across top CS/AI venues
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Achievements
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🌍
Conference Polyglot · Bronze
🏃
Academic Marathon · Sprint
🌉
Interdisciplinary Bridge · Bronze
🗺️
Taxonomy Completionist
(20)
🐣
Hot Topic Early Bird
Venues
Top co-authors
Research topics
Deep Learning
(9)
Machine Learning
(9)
Architectures
(7)
Artificial Intelligence
(5)
Core Methods
(5)
Models
(5)
Application Areas
(3)
Core AI
(3)
Bayesian & Probabilistic · Machine Learning
(2)
Interdisciplinary
(1)
Mathematics & Optimization
(1)
Bayesian & Probabilistic · Artificial Intelligence
(1)
Learning Paradigms
(1)
Learning Types
(1)
Optimization
(1)
Keywords
graph neural network
(5)
potential energy surface
(3)
neural wave function
(3)
quantum chemistry
(2)
monte carlo integration
(1)
molecular geometry
(1)
uncertainty quantification
(1)
normalizing flow
(1)
gaussian process
(1)
surrogate model
(1)
recurrent neural network
(1)
schrödinger equation
(1)
molecular graph
(1)
out-of-distribution detection
(1)
molecular dynamics
(1)
latent space
(1)
uncertainty estimation
(1)
equivariant graph neural network
(1)
inference acceleration
(1)
diffusion model
(1)
Papers
Learning Equivariant Non-Local Electron Density Functionals
ICLR 2025
Lift Your Molecules: Molecular Graph Generation in Latent Euclidean Space
ICLR 2025
Neural Pfaffians: Solving Many Many-Electron Schrödinger Equations
NeurIPS 2024
Ewald-based Long-Range Message Passing for Molecular Graphs
ICML 2023
Generalizing Neural Wave Functions
ICML 2023
Sampling-free Inference for Ab-Initio Potential Energy Surface Networks
ICLR 2023
Uncertainty Estimation for Molecules: Desiderata and Methods
ICML 2023
Ab-Initio Potential Energy Surfaces by Pairing GNNs with Neural Wave Functions
ICLR 2022
Fast and Flexible Temporal Point Processes with Triangular Maps
NeurIPS 2020