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Classical density-functional theory provides an efficient alternative to molecular dynamics simulations for understanding the equilibrium properties of inhomogeneous fluids. However, application of density-functional theory to multi-site…

Computational Physics · Physics 2014-02-14 Ravishankar Sundararaman , T. A. Arias

The power and expressivity of deep classical neural networks can be attributed to non-linear input-output relations. Such non-linearities are at the heart of many computational tasks, such as data classification and pattern recognition.…

Quantum Physics · Physics 2025-06-05 Mario Boneberg , Federico Carollo , Igor Lesanovsky

Strongly interacting quantum systems described by non-stoquastic Hamiltonians exhibit rich low-temperature physics. Yet, their study poses a formidable challenge, even for state-of-the-art numerical techniques. Here, we investigate…

Computational Physics · Physics 2021-06-18 Marin Bukov , Markus Schmitt , Maxime Dupont

Sensing the fluid flow around an arbitrary geometry entails extrapolating from the physical quantities perceived at its surface in order to reconstruct the features of the surrounding fluid. This is a challenging inverse problem, yet one…

Computational Engineering, Finance, and Science · Computer Science 2023-01-10 Gregory Duthé , Imad Abdallah , Sarah Barber , Eleni Chatzi

The paper briefy reviews several recent results on hierarchical architectures for learning from examples, that may formally explain the conditions under which Deep Convolutional Neural Networks perform much better in function approximation…

Machine Learning · Computer Science 2016-08-12 Hrushikesh Mhaskar , Tomaso Poggio

Vibrational spectroscopy is a key technique to elucidate microscopic structure and dynamics. Without the aid of theoretical approaches, it is however, often difficult to understand such spectra at a microscopic level. Ab initio molecular…

Chemical Physics · Physics 2023-03-14 Philipp Schienbein

Exact solutions for laminar stratified flows of Newtonian/non-Newtonian shear-thinning fluids in horizontal and inclined channels are presented. An iterative algorithm is proposed to compute the laminar solution for the general case of a…

Fluid Dynamics · Physics 2017-06-20 Davide Picchi , Pietro Poesio , Amos Ullmann , Neima Brauner

In many applications, it is important to reconstruct a fluid flow field, or some other high-dimensional state, from limited measurements and limited data. In this work, we propose a shallow neural network-based learning methodology for such…

We propose to use the complex quantum dynamics of a massive particle in a non-quadratic potential to reconstruct an initial unknown motional quantum state. We theoretically show that the reconstruction can be efficiently done by measuring…

Quantum Physics · Physics 2019-12-11 Talitha Weiss , Oriol Romero-Isart

The introduction of convolutional layers greatly advanced the performance of neural networks on image tasks due to innately capturing a way of encoding and learning translation-invariant operations, matching one of the underlying symmetries…

Computer Vision and Pattern Recognition · Computer Science 2016-12-15 Nicholas Guttenberg , Nathaniel Virgo , Olaf Witkowski , Hidetoshi Aoki , Ryota Kanai

Velocity dispersion of the massive neutrinos presents a daunting challenge for non-linear cosmological perturbation theory. We consider the neutrino population as a collection of non-linear fluids, each with uniform initial momentum,…

Cosmology and Nongalactic Astrophysics · Physics 2023-05-18 Joe Zhiyu Chen , Amol Upadhye , Yvonne Y. Y. Wong

This work delineates a hybrid predictive framework configured as a coarse-grained surrogate for reconstructing unsteady fluid flows around multiple cylinders of diverse configurations. The presence of cylinders of arbitrary nature causes…

Fluid Dynamics · Physics 2023-11-07 Shuvayan Brahmachary , Nils Thuerey

Sequential Monte Carlo techniques are useful for state estimation in non-linear, non-Gaussian dynamic models. These methods allow us to approximate the joint posterior distribution using sequential importance sampling. In this framework,…

Computation · Statistics 2012-07-09 Mike Klaas , Nando de Freitas , Arnaud Doucet

Accurate ab initio calculations are of fundamental importance in physics, chemistry, biology, and materials science, which have witnessed rapid development in the last couple of years with the help of machine learning computational…

Chemical Physics · Physics 2022-10-27 Yubing Qian , Weizhong Fu , Weiluo Ren , Ji Chen

Recurrent Neural Networks (RNNs) are very successful at solving challenging problems with sequential data. However, this observed efficiency is not yet entirely explained by theory. It is known that a certain class of multiplicative RNNs…

Machine Learning · Computer Science 2019-01-31 Valentin Khrulkov , Oleksii Hrinchuk , Ivan Oseledets

Under extreme operating conditions, characterized by high particle multiplicity and heavily overlapping shower energy deposits, classical particle flow algorithms encounter pronounced limitations in resolution, efficiency, and accuracy. To…

Instrumentation and Detectors · Physics 2025-05-13 Yu Wang , Yangguang Zhang , Shengxiang Lin , Xingyi Zhang , Han Zhang

This paper studies the approximation property of ReLU neural networks (NNs) to piecewise constant functions with unknown interfaces in bounded regions in $\mathbb{R}^d$. Under the assumption that the discontinuity interface $\Gamma$ may be…

Functional Analysis · Mathematics 2024-10-23 Zhiqiang Cai , Junpyo Choi , Min Liu

Photonics has unlocked the potential for energy-efficient acceleration of deep learning. Most approaches toward photonic deep learning have diligently reproduced traditional deep learning architectures using photonic platforms, separately…

Optics · Physics 2024-12-06 Sunkyu Yu , Xianji Piao , Namkyoo Park

We have used the variational and diffusion quantum Monte Carlo methods to calculate the energy, pair correlation function, static structure factor, and momentum density of the ground state of the two-dimensional homogeneous electron gas. We…

Mesoscale and Nanoscale Physics · Physics 2010-03-02 N. D. Drummond , R. J. Needs

Training neural networks to perform different tasks is relevant across various disciplines. In particular, Recurrent Neural Networks (RNNs) are of great interest in Computational Neuroscience. Open-source frameworks dedicated to Machine…

Machine Learning · Computer Science 2023-08-01 Cecilia Jarne