Crystalline material discovery in the era of artificial intelligence
Crystalline materials, with their symmetrical and periodic structures, possess a diverse array
of properties and have been widely used in various fields, ranging from electronic devices to …
of properties and have been widely used in various fields, ranging from electronic devices to …
How Useful is Intermittent, Asynchronous Expert Feedback for Bayesian Optimization?
Bayesian optimization (BO) is an integral part of automated scientific discovery--the so-
called self-driving lab--where human inputs are ideally minimal or at least non-blocking …
called self-driving lab--where human inputs are ideally minimal or at least non-blocking …
Human-in-the-loop Applications in Bayesian Optimization for Materials Science
E Lehto - 2024 - aaltodoc.aalto.fi
Bayesian optimization (BO) is a machine learning method for finding the optima of unknown
functions in the fewest number of iterations. In materials science, BO can be used for …
functions in the fewest number of iterations. In materials science, BO can be used for …
Amortized Bayesian Inference with Hybrid Expert-in-the-Loop and Learnable Summary Statistics
ST Radev, L Schumacher - openreview.net
Amortized Bayesian inference (ABI), a subset of simulation-based inference (SBI) fueled by
neural networks, has rapidly grown in popularity across diverse scientific fields. Summary …
neural networks, has rapidly grown in popularity across diverse scientific fields. Summary …