Publications associées à Adaptive conformational sampling based on replicas

Publications associées (31)

Diffusion Optimistic Learning for Min-Max Optimization

This work introduces and studies the convergence of a stochastic diffusion-optimistic learning (DOL) strategy for solving distributed nonconvex (NC) and Polyak-Lojasiewicz (PL) min-max optimization problems. Problems of this type are of interest due to a w ...

Institute of Electrical and Electronics Engineers Inc.2024

Gibbs sampling the posterior of neural networks

Lenka Zdeborová, Emanuele Troiani, Giovanni Piccioli

In this paper, we study sampling from a posterior derived from a neural network. We propose a new probabilistic model consisting of adding noise at every pre- and post-activation in the network, arguing that the resulting posterior can be sampled using an ...

Iop Publishing Ltd2024

DiffAirfoil: An Efficient Novel Airfoil Sampler Based on Latent Space Diffusion Model for Aerodynamic Shape Optimization

Edouard Robert Albert Patrick Dufour, Colin Pelletier, Pascal Fua, Zhen Wei

Surrogate-based optimization is widely used for aerodynamic shape optimization, and its effectiveness depends on representative sampling of the design space. However, traditional sampling methods are hard-pressed to effectively sample high-dimensional desi ...

2024

Identification of typical district configurations: A two-step global sensitivity analysis framework

François Maréchal, Jonas Schnidrig, Cédric Terrier, Arthur Antoine Chuat

The recent geopolitical conflicts in Europe have underscored the vulnerability of the current energy system to the volatility of energy carrier prices. In the prospect of defining robust energy systems ensuring sustainable energy supply in the future, the ...

Pergamon-Elsevier Science Ltd2024

Quantifying the Unknown: Data-Driven Approaches and Applications in Energy Systems

Paul Scharnhorst

In light of the challenges posed by climate change and the goals of the Paris Agreement, electricity generation is shifting to a more renewable and decentralized pattern, while the operation of systems like buildings is increasingly electrified. This calls ...

EPFL2024

Thermal transport of glasses via machine learning driven simulations

Federico Grasselli, Paolo Pegolo

Accessing the thermal transport properties of glasses is a major issue for the design of production strategies of glass industry, as well as for the plethora of applications and devices where glasses are employed. From the computational standpoint, the che ...

Frontiers Media Sa2024

Soliton gas: Theory, numerics, and experiments

Andrey Gelash

The concept of soliton gas was introduced in 1971 by Zakharov as an infinite collection of weakly interacting solitons in the framework of Korteweg-de Vries (KdV) equation. In this theoretical construction of a diluted (rarefied) soliton gas, solitons with ...

Amer Physical Soc2024

Sparse autoregressive neural networks for classical spin systems

Giuseppe Carleo, Dian Wu, Indaco Biazzo

Efficient sampling and approximation of Boltzmann distributions involving large sets of binary variables, or spins, are pivotal in diverse scientific fields even beyond physics. Recent advances in generative neural networks have significantly impacted this ...

Iop Publishing Ltd2024

Performing and Detecting Backdoor Attacks on Face Recognition Algorithms

Alexander Carl Unnervik

The field of biometrics, and especially face recognition, has seen a wide-spread adoption the last few years, from access control on personal devices such as phones and laptops, to automated border controls such as in airports. The stakes are increasingly ...

EPFL2024

An immersive virtual reality tool for assessing left and right unilateral spatial neglect

Olaf Blanke, Andrea Serino, Roberta Ronchi

The reported rate of the occurrence of unilateral spatial neglect (USN) is highly variable likely due to the lack of validity and low sensitivity of classical tools used to assess it. Virtual reality (VR) assessments try to overcome these limitations by pr ...

Wiley2024

Graph generative deep learning models with an application to circuit topologies

Igor Krawczuk

Modern integrated circuits are tiny yet incredibly complex technological artifacts, composed of millions and billions of individual structures working in unison. Managing their complexity and facilitating their design drove part of the co-evolution of mode ...

EPFL2024

In-Sensor Passive Speech Classification with Phononic Metamaterials

Luis Guillermo Villanueva Torrijo, Daniel Moreno Garcia

Mitigating the energy requirements of artificial intelligence requires novel physical substrates for computation. Phononic metamaterials have vanishingly low power dissipation and hence are a prime candidate for green, always-on computers. However, their u ...

Wiley-V C H Verlag Gmbh2024

How Reproducible is the Synthesis of Zr-Porphyrin Metal-Organic Frameworks? An Interlaboratory Study

Wendy Lee Queen, Jocelyn Richard Roth

Metal-organic frameworks (MOFs) are a rapidly growing class of materials that offer great promise in various applications. However, the synthesis remains challenging: for example, a range of crystal structures can often be accessed from the same building b ...

Wiley-V C H Verlag Gmbh2024

Validation of the Scientific Program for the Dark Energy Spectroscopic Instrument

Hua Zhang, Stewart Cole, Xin Chen, Sun Hee Kim, Jean-Paul Richard Kneib, Eduardo Sanchez, Cheng Zhao, Anand Stéphane Raichoor, David Schlegel, Zhifeng Ding, Jiangyan Yang, Daniel Felipe Forero Sanchez, Zheng Zheng, Andrei Variu, Arjun Dey, Antoine Philippe Jacques Rocher

The Dark Energy Spectroscopic Instrument (DESI) was designed to conduct a survey covering 14,000 deg(2) over 5 yr to constrain the cosmic expansion history through precise measurements of baryon acoustic oscillations (BAO). The scientific program for DESI ...

Iop Publishing Ltd2024

Two-particle Bose-Einstein correlations and their Lévy parameters in PbPb collisions at √sNN=5.02 TeV

Jian Wang, Matthias Finger, Qian Wang, Yiming Li, João Miguel das Neves Duarte, Matthias Wolf, Varun Sharma, Yi Zhang, Tian Cheng, Yixing Chen, Alexis Kalogeropoulos, Ioannis Papadopoulos, Hua Zhang, Siyuan Wang, Xin Chen, Michele Bianco, Sebastiana Gianì, Sun Hee Kim, Davide Di Croce, Jian Zhao, Rakesh Chawla, Jan Steggemann, Konstantin Androsov, Anna Mascellani, Federica Legger, Matteo Galli, Gabriele Grosso

Two -particle Bose-Einstein momentum correlation functions are studied for charged-hadron pairs in lead -lead collisions at a center -of -mass energy per nucleon pair of .'/sNN = 5.02 TeV. The data sample, containing 4.27 x 109 minimum bias events correspo ...

Amer Physical Soc2024

Optimizing Dynamic Aperture Studies with Active Learning

Tatiana Pieloni, Mike Seidel, Davide Di Croce, Ekaterina Krymova

Dynamic aperture is an important concept for the study of non-linear beam dynamics in circular accelerators. It describes the extent of the phase-space region where a particle's motion remains bounded over a given number of turns. Understanding the feature ...

Iop Publishing Ltd2024

A state-of-the-art, systematic review of indoor environmental quality studies in work-from-home settings

Giorgia Chinazzo, Sarah Wael Ahmed Crosby

The COVID-19 pandemic has led to a significant increase in working from home worldwide, making the workfrom-home (WFH) setting a crucial context for studying the influence of indoor environmental quality (IEQ) on workers' well-being and productivity. A nar ...

Pergamon-Elsevier Science Ltd2024

GANDALF: Graph-based transformer and Data Augmentation Active Learning Framework with interpretable features for multi-label chest Xray classification

Seyedbehzad Bozorgtabar

Informative sample selection in an active learning (AL) setting helps a machine learning system attain optimum performance with minimum labeled samples, thus reducing annotation costs and boosting performance of computer-aided diagnosis systems in the pres ...

Elsevier2024

Infusing structured knowledge priors in neural models for sample-efficient symbolic reasoning

Mattia Atzeni

The ability to reason, plan and solve highly abstract problems is a hallmark of human intelligence. Recent advancements in artificial intelligence, propelled by deep neural networks, have revolutionized disciplines like computer vision and natural language ...

EPFL2024

Comparison of two methods for bioaerosol sampling and characterization in a low-biomass chamber environment

Dusan Licina, Shen Yang, Marouane Merizak

Bioaerosols are emitted from various sources into the indoor environment and can positively and negatively impact human health. Humans are the major source of bioaerosol emissions indoors, specifically for bacteria. However, efficient sampling to guarantee ...

PERGAMON-ELSEVIER SCIENCE LTD2023