953 citations · 3.5k across the 41 of their papers we have counts for
42 papers
Matbench Discovery -- A framework to evaluate machine learning crystal stability predictions
Janosh Riebesell, Rhys E. A. Goodall, Philipp Benner +7
The rapid adoption of machine learning (ML) in domain sciences necessitates best practices and standardized benchmarking for performance evaluation. We present Matbench Discovery,…
GAUCHE: A Library for Gaussian Processes in Chemistry
Ryan-Rhys Griffiths, Leo Klarner, Henry B. Moss +24
We introduce GAUCHE, a library for GAUssian processes in CHEmistry. Gaussian processes have long been a cornerstone of probabilistic machine learning, affording particular advantag…
Rapid Discovery of Stable Materials by Coordinate-free Coarse Graining
Rhys E. A. Goodall, Abhijith S. Parackal, Felix A. Faber +2
A fundamental challenge in materials science pertains to elucidating the relationship between stoichiometry, stability, structure, and property. Recent advances have shown that mac…
Modelling the Multiwavelength Variability of Mrk 335 using Gaussian Processes
Ryan-Rhys Griffiths, Jiachen Jiang, Douglas J. K. Buisson +12
The optical and UV variability of the majority of AGN may be related to the reprocessing of rapidly-changing X-ray emission from a more compact region near the central black hole.…
Bayesian unsupervised learning reveals hidden structure in concentrated electrolytes
Penelope Jones, Fabian Coupette, Andreas Härtel +1
Electrolytes play an important role in a plethora of applications ranging from energy storage to biomaterials. Notwithstanding this, the structure of concentrated electrolytes rema…
Automatic virtual voltage extraction of a 2x2 array of quantum dots with machine learning
Giovanni A. Oakes, Jingyu Duan, John J. L. Morton +3
Spin qubits in quantum dots are a compelling platform for fault-tolerant quantum computing due to the potential to fabricate dense two-dimensional arrays with nearest neighbour cou…