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Recent advances in diffusion models have demonstrated their strong capabilities in generating high-fidelity samples from complex distributions through an iterative refinement process. Despite the empirical success of diffusion models in…

We propose a direct mesh-free method for performing topology optimization by integrating a density field approximation neural network with a displacement field approximation neural network. We show that this direct integration approach can…

Coherent imaging through scatter is a challenging task in computational imaging. Both model-based and data-driven approaches have been explored to solve the inverse scattering problem. In our previous work, we have shown that a deep…

Deep neural networks (DNNs) have shown to provide superb performance in many real life applications, but their large computation cost and storage requirement have prevented them from being deployed to many edge and internet-of-things (IoT)…

Deep-learning density functional theory (DFT) shows great promise to significantly accelerate material discovery and potentially revolutionize materials research. However, current research in this field primarily relies on data-driven…

We propose a fast beam orientation selection method, based on deep neural networks (DNN), capable of developing a plan comparable to those by the state-of-the-art column generation method. The novelty of Our model lies in its supervised…

The large computing and memory cost of deep neural networks (DNNs) often precludes their use in resource-constrained devices. Quantizing the parameters and operations to lower bit-precision offers substantial memory and energy savings for…

We propose a new method, Patch-CNN, for diffusion tensor (DT) estimation from only six-direction diffusion weighted images (DWI). Deep learning-based methods have been recently proposed for dMRI parameter estimation, using either voxel-wise…

Density-functional theory is a formally exact description of a many-body quantum system in terms of its density; in practice, however, approximations to the universal density functional are required. In this work, a model based on deep…

Improving the predictive capability of molecular properties in ab initio simulations is essential for advanced material discovery. Despite recent progress making use of machine learning, utilizing deep neural networks to improve quantum…

The Kohn-Sham scheme of density functional theory is one of the most widely used methods to solve electronic structure problems for a vast variety of atomistic systems across different scientific fields. While the method is fast relative to…

Deep neural networks (DNNs) have been used to successfully predict molecular properties calculated based on the Kohn--Sham density functional theory (KS-DFT). Although this prediction is fast and accurate, we believe that a DNN model for…

Prediction of particle radiative heat transfer flux is an important task in the large discrete granular systems, such as pebble bed in power plants and industrial fluidized beds. For particle motion and packing, discrete element method…

Van der Waals (vdW) interactions are essential for describing molecules and materials, from drug design and catalysis to battery applications. These omnipresent interactions must also be accurately included in machine-learned force fields.…

Split computing has emerged as a recent paradigm for implementation of DNN-based AI workloads, wherein a DNN model is split into two parts, one of which is executed on a mobile/client device and the other on an edge-server (or cloud). Data…

This paper proposes a deep neural network (DNN) codebook approach for multi-user interference (MUI) mitigation in extremely large multiple-input multiple-output (XL-MIMO) systems operating in the near-field region. Unlike existing DNN-based…

Deep learning is revolutionizing many areas of science and technology, especially image, text and speech recognition. In this paper, we demonstrate how a deep neural network (NN) trained on quantum mechanical (QM) DFT calculations can learn…

To reduce training costs, several Deep neural networks (DNNs) that can learn from a small set of HF data and a sufficient number of low-fidelity (LF) data have been proposed. In these established neural networks, a parallel structure is…

A deep neural network (DNN) has been developed to accurately predict nuclear charge density distributions for nuclei with proton numbers $Z \geq 8$. By incorporating essential nuclear structure features, the model achieves a significant…

Deep Neural Networks (DNNs) have gained immense success in cognitive applications and greatly pushed today's artificial intelligence forward. The biggest challenge in executing DNNs is their extremely data-extensive computations. The…