44 citations · 92 across the 7 of their papers we have counts for
4 papers · 1 filter
Is novelty predictable?
Clara Fannjiang, Jennifer Listgarten
Machine learning-based design has gained traction in the sciences, most notably in the design of small molecules, materials, and proteins, with societal implications spanning drug…
Conformal Prediction Under Feedback Covariate Shift for Biomolecular Design
Clara Fannjiang, Stephen Bates, Anastasios N. Angelopoulos +2
Many applications of machine learning methods involve an iterative protocol in which data are collected, a model is trained, and then outputs of that model are used to choose what…
Autofocused oracles for model-based design
Clara Fannjiang, Jennifer Listgarten
Data-driven design is making headway into a number of application areas, including protein, small-molecule, and materials engineering. The design goal is to construct an object wit…
A view of Estimation of Distribution Algorithms through the lens of Expectation-Maximization
David H. Brookes, Akosua Busia, Clara Fannjiang +2
We show that a large class of Estimation of Distribution Algorithms, including, but not limited to, Covariance Matrix Adaption, can be written as a Monte Carlo Expectation-Maximiza…