Publications related to Recursive evaluation and iterative contraction of N-body equivariant features

Pivot, process for manufacturing such a pivot, oscillator comprising such a pivot, watch movement and timepiece comprising such an oscillator

Simon Nessim Henein, Loïc Benoît Tissot-Daguette

The present invention concerns a pivot comprising two assemblies, namely a central assembly (401) and a peripheral assembly (400). These two assemblies are mobile in rotation relative to each other around an axis of rotation (A). The pivot is characterized ...

2024

Efficient and insightful descriptors for representing molecular and material space

Alexander Jan Goscinski

Data-driven approaches have been applied to reduce the cost of accurate computational studies on materials, by using only a small number of expensive reference electronic structure calculations for a representative subset of the materials space, and using ...

EPFL2024

Automated all-functionals infrared and Raman spectra

Nicola Marzari, Lorenzo Bastonero

Infrared and Raman spectroscopies are ubiquitous techniques employed in many experimental laboratories, thanks to their fast and non-destructive nature able to capture materials' features as spectroscopic fingerprints. Nevertheless, these measurements freq ...

Nature Portfolio2024

A Streamline Upwind Petrov-Galerkin Reduced Order Method for Advection-Dominated Partial Differential Equations Under Optimal Control

Gianluigi Rozza, Fabio Zoccolan

In this paper we will consider distributed Linear-Quadratic Optimal Control Problems dealing with Advection-Diffusion PDEs for high values of the Peclet number. In this situation, computational instabilities occur, both for steady and unsteady cases. A Str ...

Walter De Gruyter Gmbh2024

Technosignatures Longevity and Lindy's Law

Claudio Grimaldi

The probability of detecting technosignatures (i.e., evidence of technological activity beyond Earth) increases with their longevity, or the time interval over which they manifest. Therefore, the assumed distribution of longevities has some bearing on the ...

Iop Publishing Ltd2024

Measurement of the K+ → π+γγ decay

Alessandro Mapelli, Radoslav Marchevski, Alina Kleimenova

A sample of 3984 candidates of the K+ -> pi(+)gamma gamma decay, with an estimated background of 291 +/- 14 events, was collected by the NA62 experiment at CERN during 2017-2018. In order to describe the observed di-photon mass spectrum, the next-to-leadin ...

Elsevier2024

Acceleration of graph pattern mining and applications to financial crime

Jovan Blanusa

Various forms of real-world data, such as social, financial, and biological networks, can be represented using graphs. An efficient method of analysing this type of data is to extract subgraph patterns, such as cliques, cycles, and motifs, from graphs. For ...

EPFL2023

Preserving the positivity of the deformation gradient determinant in intergrid interpolation by combining RBFs and SVD: Application to cardiac electromechanics

Alfio Quarteroni, Francesco Regazzoni

The accurate, robust and efficient transfer of the deformation gradient tensor between meshes of different resolution is crucial in cardiac electromechanics simulations. This paper presents a novel method that combines rescaled localized Radial Basis Funct ...

Elsevier Science Sa2023

Rank-Adaptive Time Integration Of Tree Tensor Networks

Gianluca Ceruti

A rank-adaptive integrator for the approximate solution of high-order tensor differential equations by tree tensor networks is proposed and analyzed. In a recursion from the leaves to the root, the integrator updates bases and then evolves connection tenso ...

SIAM PUBLICATIONS2023

Chlorination of amides: Kinetics and mechanisms of formation of N-chloramides and their reactions with phenolic compounds

Urs von Gunten, Tianqi Zhang

Amides are common constituents in natural organic matter and synthetic chemicals. In this study, we investi-gated kinetics and mechanisms of the reactions of chlorine with seven amides, including acetamide, N-meth-ylformamide, N-methylacetamide, benzamide, ...

2023

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

Alexey Boyarsky, Lesya Shchutska

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

Ondine Gabrielle Chanon, Pablo Antolin Sanchez

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, Michael John Willatt, Jigyasa Nigam

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, Jigyasa Nigam, Guillaume André Jean Fraux, Sergey Pozdnyakov

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