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Computing formation enthalpies through an explainable machine learning method: the case of Lanthanide Orthophosphates solid solutions

Di Napoli, Edoardo, Wu, Xinzhe, Bornhake, Thomas, Kowalski, Piotr M.

arXiv.org Artificial Intelligence

In the last decade, the use of Machine and Deep Learning (MDL) methods in Condensed Matter physics has seen a steep increase in the number of problems tackled and methods employed. A number of distinct MDL approaches have been employed in many different topics; from prediction of materials properties to computation of Density Functional Theory potentials and inter-atomic force fields. In many cases the result is a surrogate model which returns promising predictions but is opaque on the inner mechanisms of its success. On the other hand, the typical practitioner looks for answers that are explainable and provide a clear insight on the mechanisms governing a physical phenomena. In this work, we describe a proposal to use a sophisticated combination of traditional Machine Learning methods to obtain an explainable model that outputs an explicit functional formulation for the material property of interest. We demonstrate the effectiveness of our methodology in deriving a new highly accurate expression for the enthalpy of formation of solid solutions of lanthanides orthophosphates.


Medical device leader Medtronic joins race to bring AI to health care

#artificialintelligence

Medtronic, the world's largest medical device company, is significantly increasing its investments into AI and other technologies, in what it says is an effort to help the health care industry catch up with other industries. While many other industries have embraced technology, health care has been slower. Studies reveal that only 20% of consumers would trust AI-generated health care advice. VentureBeat interviewed Torod Neptune, Medtronic's senior vice president and chief communications officer, and Gio Di Napoli, president of Medtronic's Gastrointestinal Unit, to discuss the company's vision of the future of health care technology. Neptune spoke about Medtronic's transition beyond traditional med tech to more innovative solutions using AI.


This AI Could Help Wipe Out Colon Cancer

WIRED

Michael Wallace has performed hundreds of colonoscopies in his 20 years as a gastroenterologist. He thinks he's pretty good at recognizing the growths, or polyps, that can spring up along the ridges of the colon and potentially turn into cancer. Sometimes the polyps are flat and hard to see. Other times, doctors just miss them. "We're all humans," says Wallace, who works at the Mayo Clinic.