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Accurate ab-initio prediction of electronic energies is very expensive for macromolecules by explicitly solving post-Hartree-Fock equations. We here exploit the physically justified local correlation feature in compact basis of small…
This paper proposes a deep neural network approach for predicting multiphase flow in heterogeneous domains with high computational efficiency. The deep neural network model is able to handle permeability heterogeneity in high dimensional…
Water supplies are crucial for the development of living beings. However, change in the hydrological process i.e. climate and land usage are the key issues. Sustaining water level and accurate estimating for dynamic conditions is a critical…
Deep learning became the method of choice in recent year for solving a wide variety of predictive analytics tasks. For sequence prediction, recurrent neural networks (RNN) are often the go-to architecture for exploiting sequential…
This study investigates the relationships which deep learning methods can identify between the input and output data. As a case study, rainfall-runoff modeling in a snow-dominated watershed by means of a long- and short-term memory (LSTM)…
Electricity load forecasting plays an important role in the energy planning such as generation and distribution. However, the nonlinearity and dynamic uncertainties in the smart grid environment are the main obstacles in forecasting…
A direct and local deep learning (DL) model for atomic forces is presented. We demonstrate the model performance in bulk aluminum, sodium, and silicon; and show that its errors are comparable to those found in state-of-the-art machine…
Computer models play a key role in many scientific and engineering problems. One major source of uncertainty in computer model experiment is input parameter uncertainty. Computer model calibration is a formal statistical procedure to infer…
We present a physically-motivated topology of a deep neural network that can efficiently infer extensive parameters (such as energy, entropy, or number of particles) of arbitrarily large systems, doing so with O(N) scaling. We use a form of…
Simulation-to-simulation and simulation-to-real world transfer of neural network models have been a difficult problem. To close the reality gap, prior methods to simulation-to-real world transfer focused on domain adaptation, decoupling…
Deep neural networks have shown promising results for various clinical prediction tasks. However, training deep networks such as those based on Recurrent Neural Networks (RNNs) requires large labeled data, significant hyper-parameter tuning…
Recently, spiking neural networks (SNNs) have demonstrated substantial potential in computer vision tasks. In this paper, we present an Efficient Spiking Deraining Network, called ESDNet. Our work is motivated by the observation that rain…
Standard deep neural networks (DNNs) are commonly trained in an end-to-end fashion for specific tasks such as object recognition, face identification, or character recognition, among many examples. This specificity often leads to…
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…
Sophisticated machine learning techniques have promising potential in search for physics beyond Standard Model in Large Hadron Collider (LHC). Convolutional neural networks (CNN) can provide powerful tools for differentiating between…
Spiking neural networks (SNNs) offer a promising energy-efficient alternative to artificial neural networks (ANNs), in virtue of their high biological plausibility, rich spatial-temporal dynamics, and event-driven computation. The direct…
Spiking neural networks (SNNs) are promising in a bio-plausible coding for spatio-temporal information and event-driven signal processing, which is very suited for energy-efficient implementation in neuromorphic hardware. However, the…
We propose a machine learning based approach to develop the exchange-correlation potential of time dependent density functional theory (TDDFT). The neural network projection from the time-varying electron densities to the corresponding…
There is a growing interest in developing data-driven subgrid-scale (SGS) models for large-eddy simulation (LES) using machine learning (ML). In a priori (offline) tests, some recent studies have found ML-based data-driven SGS models that…
Implicit solvent models are widely used to decrease the number of solvent degrees of freedom and enable the calculation of solvation energetics without water molecules. However, its accuracy often falls short compared to explicit models.…