Yunyang Li
3 papers · 2024–2025 · 2 venues · across top CS/AI venues
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Achievements
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🌍
Conference Polyglot · Bronze
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Research topics
Keywords
equivariant graph neural network
(2)
message passing
(1)
physics-informed learning
(1)
molecular dynamics
(1)
density functional theory
(1)
long-range interaction
(1)
neural network
(1)
many-body interaction
(1)
adaptive sparsity
(1)
sparse gate
(1)
molecular system
(1)
kohn-sham hamiltonian
(1)
wavefunction alignment loss
(1)
hamiltonian matrix prediction
(1)
sparsity scheduler
(1)
transfer learning
(1)
tensor product operations
(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
Long-Short-Range Message-Passing: A Physics-Informed Framework to Capture Non-Local Interaction for Scalable Molecular Dynamics Simulation
ICLR 2024