Bayesian Optimization for Field-Scale Geological Carbon Storage
- Xyeying Lu
- Kirk Jordan
- et al.
- 2022
- Engineering
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31 results for Edward Pyzer-Knapp
Roughness of Molecular Property Landscapes and Its Impact on Modellability
- Matteo Aldeghi
- David E. Graff
- et al.
- 2022
- J. Chem. Inf. Model.
A Principled Method for the Creation of Synthetic Multi-Fidelity Data Sets
- Clyde Fare
- Peter Fenner
- et al.
- 2022
- arXiv
Self-Focusing Virtual Screening with Active Design Space Pruning
- David E. Graff
- Matteo Aldeghi
- et al.
- 2022
- J. Chem. Inf. Model.
Modelling Mobile Signal Strength by Combining Geospatial Big Data and Artificial Intelligence
- Paolo Fraccaro
- Matthew Benatan
- et al.
- 2020
- WBDC 2020
Powerful, transferable representations for molecules through intelligent task selection in deep multitask networks
- Clyde Fare
- Lukas Turcani
- et al.
- 2020
- Physical Chemistry Chemical Physics
Evolving the materials genome: How machine learning is fueling the next generation of materials discovery
- Changwon Suh
- Clyde Fare
- et al.
- 2020
- Annu. Rev. Mater. Sci.
A fast parallel particle filter for shared memory systems
- Alessandro Varsi
- Jack Taylor
- et al.
- 2020
- IEEE SPL
Utilizing Machine Learning for Efficient Parameterization of Coarse Grained Molecular Force Fields
- James L McDonagh
- Ardita Shkurti
- et al.
- 2019
- J. Chem. Inf. Model.
Bayesian optimization for accelerated drug discovery
- Edward O. Pyzer-Knapp
- 2018
- IBM J. Res. Dev