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Based on deep neural networks (DNNs), deep learning has been successfully applied to many problems, but its mechanism is still not well understood -- especially the reason why over-parametrized DNNs can generalize. A recent statistical…
Simulation of multiphase flow in porous media is crucial for the effective management of subsurface energy and environment related activities. The numerical simulators used for modeling such processes rely on spatial and temporal…
Applications of neural networks to condensed matter physics are becoming popular and beginning to be well accepted. Obtaining and representing the ground and excited state wave functions are examples of such applications. Another…
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…
Rapid development of big data and high-performance computing have encouraged explosive studies of deep learning in geoscience. However, most studies only take single-type data as input, frittering away invaluable multisource, multi-scale…
Despite their great success, there is still no comprehensive theoretical understanding of learning with Deep Neural Networks (DNNs) or their inner organization. Previous work proposed to analyze DNNs in the \textit{Information Plane}; i.e.,…
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…
Characterization of phases of soft matter systems is a challenge faced in many physicochemical problems. For polymorphic fluids it is an even greater challenge. Specifically, glass forming fluids, as water, can have, besides solid…
A computational framework that leverages data from self-consistent field theory simulations with deep learning to accelerate the exploration of parameter space for block copolymers is presented. This is a substantial two-dimensional…
Prediction and control of chemical mixing are vital for many scientific areas such as subsurface reactive transport, climate modeling, combustion, epidemiology, and pharmacology. Due to the complex nature of mixing in heterogeneous and…
In this paper, we propose a phase shift deep neural network (PhaseDNN), which provides a uniform wideband convergence in approximating high frequency functions and solutions of wave equations. The PhaseDNN makes use of the fact that common…
Understanding the inner working mechanism of deep neural networks (DNNs) is essential and important for researchers to design and improve the performance of DNNs. In this work, the entropy analysis is leveraged to study the neurons…
We introduce \emph{Dynamical Physics-Modeled Neural Networks} (DynPMNNs), a continuous-time deep learning architecture in which each hidden layer is defined as the solution of an ordinary differential equation. Unlike classical feed-forward…
Deep Neural Networks (DNNs) are generated by sequentially performing linear and non-linear processes. Using a combination of linear and non-linear procedures is critical for generating a sufficiently deep feature space. The majority of…
A filtered density function (FDF) model based on deep neural network (DNN), termed DNN-FDF, is introduced for large eddy simulation (LES) of turbulent flows involving conserved scalar transport. The primary objectives of this study are to…
A fundamental issue in multiscale materials modeling and design is the consideration of traction-separation behavior at the interface. By enriching the deep material network (DMN) with cohesive layers, the paper presents a novel data-driven…
In deep learning, dense layer connectivity has become a key design principle in deep neural networks (DNNs), enabling efficient information flow and strong performance across a range of applications. In this work, we model densely connected…
Machine learning has long been considered as a black box for predicting combustion chemical kinetics due to the extremely large number of parameters and the lack of evaluation standards and reproducibility. The current work aims 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…
The phenomenon of distinct behaviors exhibited by neural networks under varying scales of initialization remains an enigma in deep learning research. In this paper, based on the earlier work by Luo et al.~\cite{luo2021phase}, we present a…