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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…
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.…
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…
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…
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…
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…
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…
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…
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…
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,…
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…
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,…
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…
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…
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…
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…
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…
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…
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…