Publication

Gaussian Process Regression for Materials and Molecules

Publications associées (30)

A diversity-driven discovery of potential nanoporous materials for energy-related applications

The design and discovery of potential novel materials is critical for the advancement of climate change mitigation technologies. In this respect, metal-organic frameworks (MOFs) have received considerable attention over the last two decades. The combinatio ...

EPFL2024

Distributional Regression and Autoregression via Optimal Transport

Laya Ghodrati

We present a framework for performing regression when both covariate and response are probability distributions on a compact and convex subset of

\R^d

. Our regression model is based on the theory of optimal transport and links the conditional Fr'echet m ...

EPFL2023

Appropriations and Uses of Travel Time

Ludy Juliana González Villamizar

Time has always been a central factor in understanding the challenges of daily mobility. For a long time, and still today, methods of economic evaluation of transport projects have monetized time savings so that they can be included in the cost–benefit ana ...

ISTE Wiley2023

Bayes-optimal Learning of Deep Random Networks of Extensive-width

Hugo Chao Cui, Florent Gérard Krzakala, Lenka Zdeborová

We consider the problem of learning a target function corresponding to a deep, extensive-width, non-linear neural network with random Gaussian weights. We consider the asymptotic limit where the number of samples, the input dimension and the network width ...

2023

Single-cell biology: what does the future hold?

Bart Deplancke

In this Editorial, our Chief Editor and members of our Advisory Editorial Board discuss recent breakthroughs, current challenges, and emerging opportunities in single-cell biology and share their vision of "where the field is headed." ...

WILEY2023

Tri-axial H-Field Sensor with Frequency-shaped Response in the band 400 MHz - 6 GHz

German Augusto Ramirez Arroyave

This contribution presents an isotropic field probe to assess human exposition to broadband magnetic fields in the 400 MHz to 6 GHz band according to the ICNIRP 2020 guidelines. This device complements the current practice in this band, based on the measur ...

IEEE2023

Regressive Tomography and Direct Regressive Reconstruction: A Research Note

Henri Weisen

Two related methods for inverting line-integrated measurements are presented in this research paper in the context of the recent deuterium-tritium experiments in the JET tokamak. Unlike traditional methods of tomography, these methods rely on making use of ...

2023

From Automated Bootstrapping to Collaborative Editing: A Framework for 4D City Reconstruction

Didier Louis Dupertuis, Rémi Guillaume Petitpierre, Paul Robert Guhennec, Beatrice Vaienti

We propose a framework for the construction of 4D scientific models for cities of the past. It leverages both the use of computational methods for bootstrapping, and a collaborative interface for visualisation and edition. This permits to continuously enri ...

Zenodo2023

Universal machine learning for the response of atomistic systems to external fields

Yaolong Zhang

Machine learned interatomic interaction potentials have enabled efficient and accurate molecular simulations of closed systems. However, external fields, which can greatly change the chemical structure and/or reactivity, have been seldom included in curren ...

Nature Portfolio2023

NORM TORI OF ETALE ALGEBRAS AND UNRAMIFIED BRAUER GROUPS

Eva Bayer Fluckiger, Ting-Yu Lee

Let k be a field, and let L be an etale k-algebra of finite rank. If a is an element of k(x), let X-a be the affine variety defined by N-L/k(x) = a. Assuming that L has at least one factor that is a cyclic field extension of k, we give a combinatorial desc ...

Hebrew Univ Magnes Press2023