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We combined descriptor-based analytical models for stiffness-matrix and elastic-moduli with mean-field methods to accelerate assessment of technologically useful properties of high-entropy alloys, such as strength and ductility. Model…
To leverage advancements in machine learning for metallic materials design and property prediction, it is crucial to develop a data-reduced representation of metal microstructures that surpasses the limitations of current physics-based…
In this paper, we consider a numerical homogenization of the poroelasticity problem with stochastic properties. The proposed method based on the construction of the deep neural network (DNN) for fast calculation of the effective properties…
We design a convolutional neural network (CNN) incorporating channel attention and spatial attention mechanisms to predict atmospheric parameters of hot subdwarfs. The experimental dataset comprises spectra at nine distinct signal-to-noise…
Within first-principles density functional theory (DFT) frameworks, accurate but fast prediction of electronic structures of nanoparticles (NPs) remains challenging. Herein, we propose a machine-learning architecture to rapidly but…
Data-driven turbulence modeling is a newly emerged research area in thermal hydraulics simulation of nuclear power plant (NPP). The most common CFD method used in NPP thermal hydraulics simulation is Reynolds-averaged Navier-Stokes (RANS)…
In this work, we introduce a hypergraph representation learning framework called Hypergraph Neural Networks (HNN) that jointly learns hyperedge embeddings along with a set of hyperedge-dependent embeddings for each node in the hypergraph.…
This proposed work introduces a data-assimilation-assisted approach to train neural networks, aimed at effectively reducing epistemic uncertainty in state estimates of separated flows. This method, referred to as model-consistent training,…
Current neural networks for predictions of molecular properties use quantum chemistry only as a source of training data. This paper explores models that use quantum chemistry as an integral part of the prediction process. This is done by…
Topological materials discovery has emerged as an important frontier in condensed matter physics. While theoretical classification frameworks have been used to identify thousands of candidate topological materials, experimental…
We propose a machine learning approach aiming at reducing Bond Graphs. The output of the machine learning is a hybrid modeling that contains a reduced Bond Graph coupled to a simple artificial neural network. The proposed coupling enables…
Over the past decade a wide spectrum of machine learning models have been developed to model the neurodegenerative diseases, associating biomarkers, especially non-intrusive neuroimaging markers, with key clinical scores measuring the…
We demonstrate a machine learning approach designed to extract hidden chemistry/physics to facilitate new materials discovery. In particular, we propose a novel method for learning latent knowledge from material structure data in which…
Infrared and Raman spectroscopy are widely used for the characterization of gases, liquids, and solids, as the spectra contain a wealth of information concerning in particular the dynamics of these systems. Atomic scale simulations can be…
The objective of this study is to evaluate whether the number of requisite training samples can be reduced with the use of various transfer learning models for predicting, for example, the chemical source terms of the data-driven…
Deep neural networks (DNN) have been used to model nonlinear relations between physical quantities. Those DNNs are embedded in physical systems described by partial differential equations (PDE) and trained by minimizing a loss function that…
Designing two-sided matching mechanisms is challenging when practical demands for matching outcomes are difficult to formalize and the designed mechanism must satisfy theoretical conditions. To address this, prior work has proposed a…
We report an interpretation method for deep learning models that allows us to handle high-dimensional spectral data in materials science. The proposed method uses feature extraction and clustering analysis to categorize materials into…
Model compression is an essential technique for deploying deep neural networks (DNNs) on power and memory-constrained resources. However, existing model-compression methods often rely on human expertise and focus on parameters' local…
Neural networks are powerful models that solve a variety of complex real-world problems. However, the stochastic nature of training and large number of parameters in a typical neural model makes them difficult to evaluate via inspection.…