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Universally Accurate or Specifically Inadequate? Stress‐Testing General Purpose Machine Learning Interatomic Potentials

open access: yesAdvanced Intelligent Discovery, EarlyView.
We investigate MACE‐MP‐0 and M3GNet, two general‐purpose machine learning potentials, in materials discovery and find that both generally yield reliable predictions. At the same time, both potentials show a bias towards overstabilizing high energy metastable states. We deduce a metric to quantify when these potentials are safe to use.
Konstantin S. Jakob   +2 more
wiley   +1 more source

Discrete Convex Analysis

open access: yesDiscrete Convex Analysis
openaire  

On Convexity of Cooperative Games (Nonlinear Analysis and Convex Analysis)

open access: yesOn Convexity of Cooperative Games (Nonlinear Analysis and Convex Analysis)
openaire  
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Convex multiresolution analysis

Proceedings of Third International Symposium on Time-Frequency and Time-Scale Analysis (TFTS-96), 1998
A standard wavelet multiresolution analysis can be defined via a sequence of projection operators onto a monotone sequence of closed vector subspaces possessing suitable invariance properties. We propose an extension of this framework in which the linear projection operators are replaced by nonlinear retractions onto convex sets.
P.L. Combettes, J.-C. Pesquet
openaire   +1 more source

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