NCCR MARVEL, CECAM support new ELLIS program

picture: Prof. Michele Ceriotti’s lab to signify EPFL in ELLIS program
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Credit: @EPFL

A crew of researchers together with NCCR MARVEL’s Michele Ceriotti, EPFL professor and head of the School of Engineering’s Laboratory of Computational Science and Modelling, has obtained approval from the European Laboratory for Learning and Intelligent Systems (ELLIS) to launch a new ELLIS program, Machine Learning for Molecule Discovery. 

The program, which is being supported at EPFL by each the NCCR MARVEL and the Centre Européen de Calcul Atomique et Moléculaire (CECAM), will give attention to using machine studying to speed up  molecular discovery to handle urgent societal challenges. 

New molecules with particular features or actions may end up in new medicines, safe the world’s meals provide through agrochemicals, or allow sustainable power conversion and storage to counter or mitigate local weather change. Discovering new molecules or molecular supplies optimized for a specific objective can take a very long time, nonetheless, and is very cost-intensive. Machine studying (ML) strategies can speed up molecular discovery, however area specialists and ML researchers must work collectively to make sure that ML has an affect in actual world situations.

The new ELLIS program, which includes 17 students and fellows at establishments together with EPFL, ETHZ, the University of Cambridge and MIT, will promote this dialogue in various methods. They will look to reveal the affect of AI/ML on chemistry, catalysis, drug discovery, power conversion and molecular modeling on the whole, in addition to advancing fields comparable to molecular illustration studying  and property prediction through AI/ML. The program can even facilitate coaching and schooling of the following technology of scientists on the interface of chemistry/pharmacology/catalysis and AI/ML by means of research packages and workshops. 

“Molecular and supplies discovery is a subject through which synthetic intelligence could make, and is already making, an actual distinction,”  Ceriotti stated. “The ELLIS community has acknowledged the significance of this matter, and the necessity for an interdisciplinary crew to again this program. We are grateful for the support from CECAM and MARVEL, that keep true to their mission of advancing computational science in chemistry, physics and supplies science.” 

ELLIS, based in 2018, is a pan-European AI community of excellence that focuses on basic science, technical innovation and societal affect. The community builds on machine studying as the driving force for contemporary AI and goals to safe Europe’s competences and independence within the subject by means of the ELLIS PhD & Postdoc Program; ELLIS Units, together with one at EPFL; along with the ELLIS packages. 

The packages, directed by excellent European researchers and together with main researchers as Program Fellows, give attention to high-impact drawback areas. Each has a funds for 2-3 workshops/12 months to allow conferences between fellows and friends for intensive scientific change.

There are at the moment 14 ELLIS packages overlaying matters starting from “Health” to “Theory, Algorithms and Computations of Modern Learning Systems.”

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