Accelerating equilibrium isotope effect calculations. I. Stochastic thermodynamic integration with respect to mass

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Publications associées (31)

Timing and spatial selection bias in rapid extreme event attribution

Anthony Christopher Davison, Ophélia Mireille Anna Miralles

Selection bias may arise when data have been chosen in a way that subsequent analysis does not account for. Such bias can arise in climate event attribution studies that are performed rapidly after a devastating "trigger event'', whose occurrence correspon ...

ELSEVIER2023

DeepBND: A machine learning approach to enhance multiscale solid mechanics

Simone Deparis, Annalisa Buffa, Pablo Antolin Sanchez, Felipe Figueredo Rocha

Effective properties of materials with random heterogeneous structures are typically determined by homogenising the mechanical quantity of interest in a window of observation. The entire problem setting encompasses the solution of a local PDE and some aver ...

2023

Mercury Isotope Fractionation during Dark Abiotic Reduction of Hg(II) by Dissolved, Surface-Bound, and Structural Fe(II)

Lorenz Schwab

Stable mercury (Hg) isotope ratios are an emerging tracer for biogeochemical transformations in environmental systems, but their application requires knowledge of isotopic enrichment factors for individual processes. We investigated Hg isotope fractionatio ...

Amer Chemical Soc2023

Robust discrete choice models with t-distributed kernel errors

Michel Bierlaire, Prateek Bansal, Thomas Gasos

Outliers in discrete choice response data may result from misclassification and misreporting of the response variable and from choice behaviour that is inconsistent with modelling assumptions (e.g. random utility maximisation). In the presence of outliers, ...

2023

Perturbation theory models for LSST-era galaxy clustering: Tests with subpercent mock catalog measurements in Fourier and configuration space

Jonathan Andrew Blazek

We analyze the clustering of galaxies using the z = 1.006 snapshot of the CosmoDC2 simulation, a high-fidelity synthetic galaxy catalog designed to validate analysis methods for the Vera C. Rubin Observatory Legacy Survey of Space and Time (LSST). We prese ...

American Physical Society2022

Tumor control and radiobiological fingerprint after Gamma Knife radiosurgery for posterior fossa meningiomas: A series of 46 consecutive cases

Constantin Tuleasca

Introduction: Gamma Knife radiosurgery (GKR) can be a valuable treatment option for posterior cranial fossa meningiomas (PCFM). We retrospectively analyzed outcomes of GKR for PCFM.& nbsp;Methods: Were included forty-six patients with 47 PCFM. Primary endp ...

2022

Data-Driven Predictive Models: Calculational Bias in Characterization of Spent Nuclear Fuel

Characteristics of the spent nuclear fuel (SNF) are typically calculated, requiring validation a priori. The validation process relies on the difference between calculations and measurements, namely the bias. Usually, predicting the bias based on benchmark ...

EPFL2022

TimeEvolver: A program for time evolution with improved error bound

Sebastian Zell

We present TimeEvolver, a program for computing time evolution in a generic quantum system. It relies on well-known Krylov subspace techniques to tackle the problem of multiplying the exponential of a large sparse matrix iH, where His the Hamiltonian, with ...

ELSEVIER2022

Multi-Level Monte Carlo Methods for Uncertainty Quantification and Risk-Averse Optimisation

Sundar Subramaniam Ganesh

This work aims to study the effects of wind uncertainties in civil engineering structural design. Optimising the design of a structure for safety or operability without factoring in these uncertainties can result in a design that is not robust to these per ...

EPFL2022

Space Oddity? A Statistical Formulation of Conjunction Assessment

Anthony Christopher Davison, Soumaya Elkantassi

Satellite conjunctions involving "near misses" of space objects are becoming increasingly likely. One approach to risk analysis for them involves the computation of the collision probability, but this has been regarded as having some counterintuitive prope ...

AMER INST AERONAUTICS ASTRONAUTICS2022

Removing Algorithmic Discrimination (With Minimal Individual Error)

Rachid Guerraoui, El Mahdi El Mhamdi, Le Nguyen Hoang, Alexandre David Olivier Maurer

We address for the first time the problem of correcting group discriminations within a score function, while minimizing the individual error. Each group is described by a probability density function on the set of profiles. We first solve the problem analy ...

2022

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