SINGLE-MODEL UNCERTAINTY QUANTIFICATION IN NEURAL NETWORK POTENTIALS DOES NOT CONSISTENTLY OUTPERFORM MODEL ENSEMBLES

Single-model uncertainty quantification in neural network potentials does not consistently outperform model ensembles

Abstract Neural networks (NNs) often assign high confidence to their predictions, even for points far out of distribution, making uncertainty quantification (UQ) a challenge.When they are employed to model interatomic potentials in materials systems, this problem leads to unphysical structures that disrupt simulations, or to biased statistics and d

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Atypical presentation of cystic schwannoma of the sphenoid sinus: a nonsolitary mass with osseous, intracranial and cavernous sinus invasion

Although nearly half of all schwannomas involve the head and Wax Bars neck region, nasal and paranasal sinus presentations are quite rarely seen.Cystic schwannoma, characterized by cyst formation lined by S-100 protein positive membrane-like structures is very uncommonly seen in sphenoid sinus with only a single previously reported case.Here we rep

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