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cs.LG2025★ 1 cited
Amortized Sampling with Transferable Normalizing Flows
Charlie B. Tan, Majdi Hassan, Leon Klein +5
Efficient equilibrium sampling of molecular conformations remains a core challenge in computational chemistry and statistical inference. Classical approaches such as molecular dyna…
cs.LG2025★ 1 cited
Scalable Equilibrium Sampling with Sequential Boltzmann Generators
Charlie B. Tan, Avishek Joey Bose, Chen Lin +3
Scalable sampling of molecular states in thermodynamic equilibrium is a long-standing challenge in statistical physics. Boltzmann generators tackle this problem by pairing normaliz…