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cs.LG2026
Scalable Bayesian Optimization of Composite Functions for Image-Based Inverse Problems in Materials Characterization
Dasol Yoon, Poompol Buathong, Chia-Hao Lee +3
Estimating physical parameters from scientific images is a common inverse problem in materials characterization that often relies on expensive physics-based simulations. In electro…
cs.LG2026
Better Protein Function Prediction by Modeling Survivorship Bias
Zhongmou Chao, Poompol Buathong, Ekaterina Selivanovitch +2
Protein sequence data from nature exhibits survivorship bias: we only observe data from those organisms that survive and reproduce, while non-functional protein mutations are elimi…
cs.LG2025
Cost-aware Stopping for Bayesian Optimization
Qian Xie, Linda Cai, Alexander Terenin +2
In automated machine learning, scientific discovery, and other applications of Bayesian optimization, deciding when to stop evaluating expensive black-box functions in a cost-aware…