David J. Wales

Publication Activity (10 Years)

Years Active: 2010-2023
Publications (10 Years): 11

Top Topics

Risk Minimization

Gaussian Process

Energy Landscape

Top Venues

Mach. Learn. Sci. Technol.

J. Chem. Inf. Model.

J. Comput. Chem.

Publications

Maximilian P. Niroomand, David J. Wales
Physics-Inspired Interpretability Of Machine Learning Models. CoRR (2023)
Maximilian P. Niroomand, Luke Dicks, Edward O. Pyzer-Knapp, David J. Wales
Physics Inspired Approaches Towards Understanding Gaussian Processes. CoRR (2023)
Luke Dicks, David J. Wales
Evolution of K-means solution landscapes with the addition of dataset outliers and a robust clustering comparison measure for their analysis. CoRR (2023)
Maximilian P. Niroomand, John W. R. Morgan, Conor T. Cafolla, David J. Wales
On the capacity and superposition of minima in neural network loss function landscapes. Mach. Learn. Sci. Technol. 3 (2) (2022)
Maximilian P. Niroomand, Conor T. Cafolla, John W. R. Morgan, David J. Wales
Characterising the area under the curve loss function landscape. Mach. Learn. Sci. Technol. 3 (1) (2022)
Evgeny Moerman, David Furman, David J. Wales
Development of ReaxFF Reactive Force Field for Aqueous Iron-Sulfur Clusters with Applications to Stability and Reactivity in Water. J. Chem. Inf. Model. 61 (3) (2021)
Sathya R. Chitturi, Philipp C. Verpoort, Alpha A. Lee, David J. Wales
Perspective: new insights from loss function landscapes of neural networks. Mach. Learn. Sci. Technol. 1 (2) (2020)
Sridhar Neelamraju, David J. Wales, Shachi Gosavi
Go-Kit: A Tool To Enable Energy Landscape Exploration of Proteins. J. Chem. Inf. Model. 59 (5) (2019)
Dhagash Mehta, Xiaojun Zhao, Edgar A. Bernal, David J. Wales
The Loss Surface of XOR Artificial Neural Networks. CoRR (2018)
Andrew J. Ballard, Ritankar Das, Stefano Martiniani, Dhagash Mehta, Levent Sagun, Jacob D. Stevenson, David J. Wales
Perspective: Energy Landscapes for Machine Learning. CoRR (2017)
Tianlv Xu, James Farrell, Yuning Xu, Roya Momen, Steven R. Kirk, Samantha Jenkins, David J. Wales
potential energy surface. J. Comput. Chem. 37 (31) (2016)
Edyta Malolepsza, Birgit Strodel, Mey Khalili, Semen Trygubenko, Szilard N. Fejer, Joanne M. Carr, David J. Wales
Erratum: Symmetrization of the AMBER and CHARMM force fields [J. Comp. Chem. 31, 1402]. J. Comput. Chem. 33 (27) (2012)
Michael C. Prentiss, David J. Wales, Peter G. Wolynes
The Energy Landscape, Folding Pathways and the Kinetics of a Knotted Protein. PLoS Comput. Biol. 6 (7) (2010)
Edyta Malolepsza, Birgit Strodel, Mey Khalili, Semen Trygubenko, Szilard N. Fejer, David J. Wales
Symmetrization of the AMBER and CHARMM force fields. J. Comput. Chem. 31 (7) (2010)