5 citations · 10 across the 11 of their papers we have counts for
4 papers · 1 filter
A study of EHVI vs fixed scalarization for molecule design
Anabel Yong, Austin Tripp, Layla Hosseini-Gerami +1
Multi-objective Bayesian optimization (MOBO) provides a principled framework for navigating trade-offs in molecular design. However, its empirical advantages over scalarized altern…
AbRank: A Benchmark Dataset and Metric-Learning Framework for Antibody-Antigen Affinity Ranking
Chunan Liu, Aurelien Pelissier, Yanjun Shao +4
Accurate prediction of antibody-antigen (Ab-Ag) binding affinity is essential for therapeutic design and vaccine development, yet the performance of current models is limited by no…
Time-varying Factor Augmented Vector Autoregression with Grouped Sparse Autoencoder
Yiyong Luo, Brooks Paige, Jim Griffin
Recent economic events, including the global financial crisis and COVID-19 pandemic, have exposed limitations in linear Factor Augmented Vector Autoregressive (FAVAR) models for fo…
Effects of Dropout on Performance in Long-range Graph Learning Tasks
Jasraj Singh, Keyue Jiang, Brooks Paige +1
Message Passing Neural Networks (MPNNs) are a class of Graph Neural Networks (GNNs) that propagate information across the graph via local neighborhoods. The scheme gives rise to tw…