2 papers
cs.LG2026
CrystalMO-TuRBO: Multi-Objective Trust-Region Bayesian Optimization for High-precision Joint Crystal Structure Refinement
Joseph Agada, Yishu Wang, Arpan Biswas
Crystal structure refinement is a fundamental inverse problem in materials characterization, where structural parameters are optimized to reproduce experimental diffraction data. C…
physics.comp-ph2026
Physically Constrained Ensemble Gaussian Process Modelling for Expensive Quantum Systems with Heteroskedastic Noise
Arpan Biswas, Sutirtha Paul, Joseph Agada +2
Accurate modeling of quantum many-body systems often requires computationally expensive simulations such as Density Matrix Renormalization Group (DMRG) or Quantum Monte Carlo (QMC)…