Recursive evaluation and iterative contraction of N-body equivariant features

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The predictive capacity of in vitro preclinical models to evaluate drugs for the treatment of retinoblastoma

Paul Joseph Dyson, Irina Sinenko, Roland Christopher Turnell-Ritson

Retinoblastoma is a rare childhood cancer of the eye. Of the small number of drugs are used to treat retinoblastoma, all have been repurposed from drugs developed for other conditions. In order to find drugs or drug combinations better suited to the improv ...

ACADEMIC PRESS LTD- ELSEVIER SCIENCE LTD2023

Measurement of the 171Tm beta spectrum

Lesya Shchutska, Alexey Boyarsky

The beta spectrum of the main transition of the 171Tm was measured using a double focalizing spectrometer. The instrument was lately improved in order to reduce its low energy threshold to 34 keV. We used the spectrometer to measure the energy end-point of ...

2023

Dynamic Personalized Ranking

Jérémie Rappaz

Personalized ranking methods are at the core of many systems that learn to produce recommendations from user feedbacks. Their primary objective is to identify relevant items from very large vocabularies and to assist users in discovering new content. These ...

EPFL2022

Analysis-aware defeaturing of complex geometries

Pablo Antolin Sanchez, Ondine Gabrielle Chanon

Local modifications of a computational domain are often performed in order to simplify the meshing process and to reduce computational costs and memory requirements. However, removing geometrical features of a domain often introduces a non-negligible error ...

2022

Equivariant representations for molecular Hamiltonians and N-center atomic-scale properties

Michele Ceriotti, Jigyasa Nigam, Michael John Willatt

Symmetry considerations are at the core of the major frameworks used to provide an effective mathematical representation of atomic configurations that is then used in machine-learning models to predict the properties associated with each structure. In most ...

AIP Publishing2022

Unified theory of atom-centered representations and message-passing machine-learning schemes

Michele Ceriotti, Guillaume André Jean Fraux, Sergey Pozdnyakov, Jigyasa Nigam

Data-driven schemes that associate molecular and crystal structures with their microscopic properties share the need for a concise, effective description of the arrangement of their atomic constituents. Many types of models rely on descriptions of atom-cen ...

AIP Publishing2022

Material removing tool and method for designing the same

Jean-François Molinari, Son-Jonathan Pham-Ba

The invention relates to a material removing tool, such as an ice cream scoop, and method for designing the same. The material removing tool has a shape optimized to minimize the amount of work the user has to provide in order to form and remove a piece of ...

2022

A method

Fabien Sorin, Andreas Leber

A method of manufacturing a fibre comprising a lined channel, using a draw apparatus, the method comprising: providing a preform, comprising a channel extending through the preform, to the draw apparatus; feeding a liner into the channel; heating a portion ...

2022

Reduced representations of complexes, signals, and multifiltrations

Celia Camille Hacker

The field of computational topology has developed many powerful tools to describe the shape of data, offering an alternative point of view from classical statistics. This results in a variety of complex structures that are not always directly amenable for ...

EPFL2022

A smooth basis for atomistic machine learning

Michele Ceriotti, Kevin Kazuki Huguenin-Dumittan, Filippo Bigi

Machine learning frameworks based on correlations of interatomic positions begin with a discretized description of the density of other atoms in the neighborhood of each atom in the system. Symmetry considerations support the use of spherical harmonics to ...

AIP Publishing2022

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