Related papers: A coarse-grained deep neural network model for liq…

A coarse-grained water model is developed using multistate iterative Boltzmann inversion. Following previous work, the k-means algorithm is used to dynamically map multiple water molecules to a single coarse-grained bead, allowing the use…

We explore the potential of feed-forward deep neural networks (DNNs) for emulating cloud superparameterization in realistic geography, using offline fits to data from the Super Parameterized Community Atmospheric Model. To identify the…

To shift the computational burden from real-time to offline in delay-critical power systems applications, recent works entertain the idea of using a deep neural network (DNN) to predict the solutions of the AC optimal power flow (AC-OPF)…

A deep neural network (DNN) model consisting of two hidden layers was proposed for predicting the immediate environments of specific atoms based on X-ray absorption near-edge spectra (XANES). The output layer of the DNN can be adjusted to…

In this paper, we interpret Deep Neural Networks with Complex Network Theory. Complex Network Theory (CNT) represents Deep Neural Networks (DNNs) as directed weighted graphs to study them as dynamical systems. We efficiently adapt CNT…

Deep graph neural networks (GNNs) have achieved excellent results on various tasks on increasingly large graph datasets with millions of nodes and edges. However, memory complexity has become a major obstacle when training deep GNNs for…

Fluid-structure interaction is common in engineering and natural systems, where floating-body motion is governed by added mass, drag, and background flows. Modeling these dissipative dynamics is difficult: black-box neural models regress…

Deep neural networks (DNN) have shown great capacity of modeling a dynamical system; nevertheless, they usually do not obey physics constraints such as conservation laws. This paper proposes a new learning framework named ConCerNet to…

Purpose: To use a deep neural network (DNN) for solving the optimization problem of water/fat separation and to compare supervised and unsupervised training. Methods: The current T2*-IDEAL algorithm for solving fat/water separation is…

Predicting the spatiotemporal variation in streamflow along with uncertainty quantification enables decision-making for sustainable management of scarce water resources. Process-based hydrological models (aka physics-based models) are based…

Graph neural networks (GNNs) integrate deep architectures and topological structure modeling in an effective way. However, the performance of existing GNNs would decrease significantly when they stack many layers, because of the…

In this paper we investigate the performance of different machine learning potentials (MLPs) in predicting key thermodynamic properties of water using RPBE+D3. Specifically, we scrutinize kernel-based regression and high-dimensional neural…

Even though atomistic and coarse-grained (CG) models have been used to simulate liquid nanodroplets in vapor, very few rigorous studies of the liquid-liquid interface structure are available, and most of them are limited to planar…

We train a deep convolutional neural network to predict hydrodynamic results for flow coefficients, average transverse momenta and charged particle multiplicities in ultrarelativistic heavy-ion collisions from the initial energy density…

We propose a four-layer fully-connected neural network (FNN) for predicting fluid intelligence scores from T1-weighted MR images for the ABCD-challenge. In addition to the volumes of brain structures, the FNN uses cortical WM/GM contrast…

Coarse graining (CG) enables the investigation of molecular properties for larger systems and at longer timescales than the ones attainable at the atomistic resolution. Machine learning techniques have been recently proposed to learn CG…

Purpose: A new method for magnetic resonance (MR) imaging water-fat separation using a convolutional neural network (ConvNet) and deep learning (DL) is presented. Feasibility of the method with complex and magnitude images is demonstrated…

Chemically reacting flows are common in engineering, such as hypersonic flow, combustion, explosions, manufacturing processes and environmental assessments. For combustion, the number of reactions can be significant (over 100) and due to…

Flood models inform strategic disaster management by simulating the spatiotemporal hydrodynamics of flooding. While physics-based numerical flood models are accurate, their substantial computational cost limits their use in operational…

This study proposes a rotationally invariant data-driven subgrid-scale (SGS) model for large-eddy simulation (LES) of wall-bounded turbulent flows. Building upon the multiscale convolutional neural network subgrid-scale model, which outputs…