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cs.LG2026
Learning Hamiltonian Flow Maps: Mean Flow Consistency for Large-Timestep Molecular Dynamics
Winfried Ripken, Michael Plainer, Gregor Lied +5
Simulating the long-time evolution of Hamiltonian systems is limited by the small timesteps required for stable numerical integration. To overcome this constraint, we introduce a f…
cs.LG2026
Excited Pfaffians: Generalized Neural Wave Functions Across Structure and State
Nicholas Gao, Till Grutschus, Frank Noé +1
Neural-network wave functions in Variational Monte Carlo (VMC) have achieved great success in accurately representing both ground and excited states. However, achieving sufficient…