Xinran Wei
5 papers · 2024–2025 · 3 venues · across top CS/AI venues
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Achievements
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🌍
Conference Polyglot · Bronze
🌉
Interdisciplinary Bridge · Bronze
🗺️
Taxonomy Completionist
(13)
👑
Triple Crown
Venues
Top co-authors
Research topics
Deep Learning
(5)
Machine Learning
(5)
Application Areas
(3)
Architectures
(3)
Optimization & Theory · Machine Learning
(3)
Learning Types
(2)
Artificial Intelligence
(1)
Interdisciplinary
(1)
Core Methods
(1)
Learning Paradigms
(1)
Models
(1)
Optimization & Theory · Deep Learning
(1)
Science
(1)
Techniques
(1)
Keywords
density functional theory
(3)
neural network
(2)
equivariant graph neural network
(2)
deep equilibrium model
(1)
physics-informed learning
(1)
quantum chemistry
(1)
molecular dynamics
(1)
hamiltonian prediction
(1)
fixed-point solving
(1)
scientific machine learning
(1)
unlabeled data
(1)
long-range interaction
(1)
self-consistency training
(1)
many-body interaction
(1)
adaptive sparsity
(1)
hamiltonian matrix
(1)
sparse gate
(1)
molecular system
(1)
kohn-sham hamiltonian
(1)
wavefunction alignment loss
(1)
Papers
Efficient and Scalable Density Functional Theory Hamiltonian Prediction through Adaptive Sparsity
ICML 2025
Enhancing the Scalability and Applicability of Kohn-Sham Hamiltonians for Molecular Systems
ICLR 2025
Infusing Self-Consistency into Density Functional Theory Hamiltonian Prediction via Deep Equilibrium Models
NeurIPS 2024
Long-Short-Range Message-Passing: A Physics-Informed Framework to Capture Non-Local Interaction for Scalable Molecular Dynamics Simulation
ICLR 2024
Self-Consistency Training for Density-Functional-Theory Hamiltonian Prediction
ICML 2024