130 citations · 297 across the 22 of their papers we have counts for
3 papers · 1 filter
Powerful, transferable representations for molecules through intelligent task selection in deep multitask networks
Clyde Fare, Lukas Turcani, Edward O. Pyzer-Knapp
Chemical representations derived from deep learning are emerging as a powerful tool in areas such as drug discovery and materials innovation. Currently, this methodology has three…
Dynamic Control of Explore/Exploit Trade-Off In Bayesian Optimization
Dipti Jasrasaria, Edward O. Pyzer-Knapp
Bayesian optimization offers the possibility of optimizing black-box operations not accessible through traditional techniques. The success of Bayesian optimization methods such as…
Efficient and Scalable Batch Bayesian Optimization Using K-Means
Matthew Groves, Edward O. Pyzer-Knapp
We present K-Means Batch Bayesian Optimization (KMBBO), a novel batch sampling algorithm for Bayesian Optimization (BO). KMBBO uses unsupervised learning to efficiently estimate pe…