Related papers: An equivariant neural operator for developing nonl…
Reynolds Averaged Navier Stokes (RANS) modelling is notorious for introducing the model-form uncertainty due to the Boussinesq turbulent viscosity hypothesis. Recently, the eigenspace perturbation method (EPM) has been developed to estimate…
Solving the Reynolds-averaged Navier-Stokes equations (RANS) closed with an eddy viscosity computed through a turbulence model is still the leading approach for Computational Fluid Dynamics simulations. Unfortunately, universal models with…
Turbulence Models represent the workhorse for simulations used in engineering design and analysis. Despite their low computational cost and robustness, these models suffer from substantial predictive uncertainty, most of which is epistemic.…
Temporal data modelling techniques with neural networks are useful in many domain applications, including time-series forecasting and control engineering. This paper aims at developing a recurrent version of stochastic configuration…
Numerical simulations based on Reynolds-Averaged Navier--Stokes (RANS) equations are widely used in engineering design and analysis involving turbulent flows. However, RANS simulations are known to be unreliable in many flows of engineering…
Quantum Neural Networks (QNNs) are suggested as one of the quantum algorithms which can be efficiently simulated with a low depth on near-term quantum hardware in the presence of noises. However, their performance highly relies on choosing…
CoVariance Neural Networks (VNNs) perform convolutions on the graph determined by the covariance matrix of the data, which enables expressive and stable covariance-based learning. However, covariance matrices are typically dense, fail to…
We introduce a tensor-channel equivariant graph neural network for direct prediction of molecular polarizability tensors. Building on the efficient PaiNN architecture, we augment the hidden representation with explicit symmetric rank-2…
In this paper we demonstrate methods for reliable and efficient training of discrete representation using Vector-Quantized Variational Auto-Encoder models (VQ-VAEs). Discrete latent variable models have been shown to learn nontrivial…
We propose a quantum implicit neural representation (QINR)-based autoencoder (AE) and variational autoencoder (VAE) for image reconstruction and generation tasks. Our purpose is to demonstrate that the QINR in VAEs and AEs can transform…
Recent developments in the field of quantum machine learning have promoted the idea of incorporating physical symmetries in the structure of quantum circuits. A crucial milestone in this area is the realization of $S_{n}$-permutation…
In remote sensing images, the absolute orientation of objects is arbitrary. Depending on an object's orientation and on a sensor's flight path, objects of the same semantic class can be observed in different orientations in the same image.…
This work proposes a novel methodology for turbulence modeling in Large Eddy Simulation (LES) based on Graph Neural Networks (GNNs), which embeds the discrete rotational, reflectional and translational symmetries of the Navier-Stokes…
Learning and reasoning about 3D molecular structures with varying size is an emerging and important challenge in machine learning and especially in drug discovery. Equivariant Graph Neural Networks (GNNs) can simultaneously leverage the…
This article deals with approximating steady-state particle-resolved fluid flow around a fixed particle of interest under the influence of randomly distributed stationary particles in a dispersed multiphase setup using Convolutional Neural…
Graph neural networks excel at modeling pairwise interactions, but they cannot flexibly accommodate higher-order interactions and features. Topological deep learning (TDL) has emerged recently as a promising tool for addressing this issue.…
Complex-Valued Neural Networks (CVNNs) have significant advantages in handling tasks that involve complex numbers. However, existing CVNNs are unable to quantify predictive uncertainty. We propose, for the first time, dropout-based Bayesian…
Equivariant neural networks (ENNs) are graph neural networks embedded in $\mathbb{R}^3$ and are well suited for predicting molecular properties. The ENN library e3nn has customizable convolutions, which can be designed to depend only on…
Continuous-variable (CV) quantum computing offers a promising framework for scalable quantum machine learning, leveraging optical systems with infinite-dimensional Hilbert spaces. While discrete-variable (DV) quantum neural networks have…
This study introduces PV-RNN, a novel variational RNN inspired by the predictive-coding ideas. The model learns to extract the probabilistic structures hidden in fluctuating temporal patterns by dynamically changing the stochasticity of its…