Publications associées à Fermionic wave functions from neural-network constrained hidden states

Excited State-Specific CASSCF Theory for the Torsion of Ethylene

State-specific complete active space self-consistent field (SS-CASSCF) theory has emerged as a promising route to accurately predict electronically excited energy surfaces away from molecular equilibria. However, its accuracy and practicality for chemical ...

Amer Chemical Soc2024

Residual-based attention in physics-informed neural networks

Nikolaos Stergiopoulos, Sokratis Anagnostopoulos

Driven by the need for more efficient and seamless integration of physical models and data, physics -informed neural networks (PINNs) have seen a surge of interest in recent years. However, ensuring the reliability of their convergence and accuracy remains ...

Elsevier Science Sa2024

Optothermal shaping of lamb waves with square and spiral phase fronts

Romain Christophe Rémy Fleury, Aleksi Antoine Bossart, Janez Rus

We introduce a Lamb-wave medium with tunable propagation velocities, which are controlled by a two-dimensional heating pattern produced by a laser beam. We utilized it to demonstrate that waves in an appropriately designed medium can propagate in the form ...

2024

Spin, Charge, and ?-Spin Separation in One-Dimensional Photodoped Mott Insulators

Philipp Georg Werner Seeberger

We show that effectively cold metastable states in one-dimensional photodoped Mott insulators described by the extended Hubbard model exhibit spin, charge, and q-spin separation. Their wave functions in the large on-site Coulomb interaction limit can be ex ...

AMER PHYSICAL SOC2023

Nonlocally-resonant metamaterials

Aleksi Antoine Bossart

In this thesis, we unveil a third design path to manipulate elastic waves within architected media, distinct from the traditional phononic crystal and locally-resonant metamaterial concepts. The core innovation lies in the concept of nonlocal resonances, d ...

EPFL2023

Continuous-variable neural network quantum states and the quantum rotor model

Giuseppe Carleo

We initiate the study of neural network quantum state algorithms for analyzing continuous-variable quantum systems in which the quantum degrees of freedom correspond to coordinates on a smooth manifold. A simple family of continuous-variable trial wavefunc ...

SPRINGERNATURE2023

The inductive bias of deep learning: Connecting weights and functions

Guillermo Ortiz Jimenez

Years of a fierce competition have naturally selected the fittest deep learning algorithms. Yet, although these models work well in practice, we still lack a proper characterization of why they do so. This poses serious questions about the robustness, trus ...

EPFL2023

Unbiasing time-dependent Variational Monte Carlo by projected quantum evolution

Giuseppe Carleo, Filippo Vicentini, Clemens Giuliani, Alessandro Sinibaldi

We analyze the accuracy and sample complexity of variational Monte Carlo approaches to simulate the dynamics of many-body quantum systems classically. By systematically studying the relevant stochastic estimators, we are able to: (i) prove that the most us ...

Verein Forderung Open Access Publizierens Quantenwissenschaf2023

An exact mapping from ReLU networks to spiking neural networks

Wulfram Gerstner, Stanislaw Andrzej Wozniak, Angeliki Pantazi, Ana Stanojevic, Giovanni Cherubini

Deep spiking neural networks (SNNs) offer the promise of low-power artificial intelligence. However, training deep SNNs from scratch or converting deep artificial neural networks to SNNs without loss of performance has been a challenge. Here we propose an ...

2023

A KL Divergence-Based Loss for In Vivo Ultrafast Ultrasound Image Enhancement with Deep Learning

Jean-Philippe Thiran, Roser Vinals Terres

Ultrafast ultrasound imaging, characterized by high frame rates, generates low-quality images. Convolutional neural networks (CNNs) have demonstrated great potential to enhance image quality without compromising the frame rate. However, CNNs have been most ...

2023

A synthetic phase-contrast imaging diagnostic with spatial filtering for gyrokinetic simulations

Stephan Brunner, Stefano Coda, Gabriele Merlo, Aylwin Iantchenko, Justin Richard Ball

A Phase-contrast imaging (PCI) diagnostic provides measurements of line-integrated electron density fluctuations. Localisation along the laser beam path can be achieved with a spatial filter that selects the wave-vector directions of the fluctuations contr ...

2023

A Statistical Framework to Investigate the Optimality of Signal-Reconstruction Methods

Michaël Unser, Pakshal Narendra Bohra, Pol del Aguila Pla

We present a statistical framework to benchmark the performance of reconstruction algorithms for linear inverse problems, in particular, neural-network-based methods that require large quantities of training data. We generate synthetic signals as realizati ...

2023

Stochastic particle transport by deep-water irregular breaking waves

Debbie Eeltink

Correct prediction of particle transport by surface waves is crucial in many practical applications such as search and rescue or salvage operations and pollution tracking and clean-up efforts. Recent results by Deike et al. (J. Fluid Mech., vol. 829, 2017, ...

Cambridge University Press2023

Benign Overfitting in Deep Neural Networks under Lazy Training

Volkan Cevher, Zhenyu Zhu, Grigorios Chrysos, Fanghui Liu

This paper focuses on over-parameterized deep neural networks (DNNs) with ReLU activation functions and proves that when the data distribution is well-separated, DNNs can achieve Bayesoptimal test error for classification while obtaining (nearly) zero-trai ...

2023

Long-distance coherent propagation of magnon polarons in a ferroelectric-ferromagnetic heterostructure

Jean-Philippe Ansermet, Haiming Yu, Peng Chen, Song Liu, Jilei Chen, Jianyu Zhang, Jinlong Wang, Yao Zhang

We experimentally demonstrate the coherent propagation of magnon polarons, the hybridized excitations formed by the coupling of spin waves and Rayleigh/Love surface acoustic waves, in a heterostructure consisting of ferroelectric BaTiO3 and ferromagnetic L ...

Amer Physical Soc2023

Hamiltonian Deep Neural Networks Guaranteeing Non-Vanishing Gradients by Design

Giancarlo Ferrari Trecate, Clara Lucía Galimberti, Liang Xu, Luca Furieri

Deep Neural Networks (DNNs) training can be difficult due to vanishing and exploding gradients during weight optimization through backpropagation. To address this problem, we propose a general class of Hamiltonian DNNs (H-DNNs) that stem from the discretiz ...

2023

Long-Distance Coherent Propagation of High-Velocity Antiferromagnetic Spin Waves

Jean-Philippe Ansermet, Haiming Yu, Song Liu, Jilei Chen, Cheng Song, Rundong Yuan, Yao Zhang

We report on coherent propagation of antiferromagnetic (AFM) spin waves over a long distance (similar to 10 mu m) at room temperature in a canted AFM alpha-Fe2O3 owing to the Dzyaloshinskii-Moriya interaction (DMI). Unprecedented high group velocities (up ...

AMER PHYSICAL SOC2023

Magnetic orderings and electronic structure of complex oxides from advanced Hubbard functionals

Luca Binci

Transition metal oxides represent a class of materials displaying very unusual electronic, structural and magnetic properties. They are extremely interesting, both from a technological and fundamental point of view. The most important characteristic of the ...

EPFL2023

Hamiltonian reconstruction as metric for variational studies

Giuseppe Carleo

Variational approaches are among the most powerful techniques to approximately solve quantum many-body problems. These encompass both variational states based on tensor or neural networks, and parameterized quantum circuits in variational quantum eigensolv ...

2022

HP - A code for the calculation of Hubbard parameters using density-functional perturbation theory

Nicola Marzari, Matteo Cococcioni, Iurii Timrov

We introduce HP, an implementation of density-functional perturbation theory, designed to compute Hubbard parameters (on-site U and inter-site V ) in the framework of DFT+U and DFT+U+V. The code does not require the use of computationally expensive superce ...

ELSEVIER2022