Learned online policies for the ADMM relaxation parameter improve iteration count and runtime on benchmark quadratic programs while maintaining convergence guarantees for time-varying parameters under mild assumptions.
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The authors propose an adaptive non-equilibrium work method for free energy profiles in MD that combines high- and low-quality simulations to cut computational cost while matching results from long reversible reference runs, shown on hydroxyapatite demineralization.
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Learning Over-Relaxation Policies for ADMM with Convergence Guarantees
Learned online policies for the ADMM relaxation parameter improve iteration count and runtime on benchmark quadratic programs while maintaining convergence guarantees for time-varying parameters under mild assumptions.
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An Efficient Approach for Calculating Free Energy in Molecular Dynamics: Demineralization of Hydroxyapatite as a Case Study
The authors propose an adaptive non-equilibrium work method for free energy profiles in MD that combines high- and low-quality simulations to cut computational cost while matching results from long reversible reference runs, shown on hydroxyapatite demineralization.