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Graph neural networks excel at modeling pairwise interactions, but they cannot flexibly accommodate higher-order interactions and features. Topological deep learning (TDL) has emerged recently as a promising tool for addressing this issue.…
For decades, atomistic modeling has played a crucial role in predicting the behavior of materials in numerous fields ranging from nanotechnology to drug discovery. The most accurate methods in this domain are rooted in first-principles…
Deep neural networks (DNNs) have provided brilliant performance across various tasks. However, this success often comes at the cost of unnecessarily large model sizes, high computational demands, and substantial memory footprints.…
We numerically show that a deep neural network (DNN) can learn macroscopic thermodynamic laws purely from microscopic data. Using molecular dynamics simulations, we generate the data of snapshot images of gas particles undergoing adiabatic…
Deep neural networks (DNNs) are widely used in pattern-recognition tasks for which a human comprehensible, quantitative description of the data-generating process, e.g., in the form of equations, cannot be achieved. While doing so, DNNs…
Deep neural networks (DNNs) have succeeded in many different perception tasks, e.g., computer vision, natural language processing, reinforcement learning, etc. The high-performed DNNs heavily rely on intensive resource consumption. For…
The Deep Material Network (DMN) has emerged as a powerful framework for multiscale materials modeling, enabling efficient and accurate prediction of material behavior across different length scales. Unlike conventional data-driven…
Deep neural networks (DNN) have achieved remarkable success in computer vision (CV). However, training and inference of DNN models are both memory and computation intensive, incurring significant overhead in terms of energy consumption and…
Deep neural networks (DNNs) have achieved exceptional performance across various fields by learning complex, nonlinear mappings from large-scale datasets. However, they face challenges such as high memory requirements and computational…
Supervised machine learning is emerging as a powerful computational tool to predict the properties of complex quantum systems at a limited computational cost. In this article, we quantify how accurately deep neural networks can learn the…
As a network-based functional approximator, we have proposed a "Lagrangian Density Space-Time Deep Neural Networks" (LDDNN) topology. It is qualified for unsupervised training and learning to predict the dynamics of underlying physical…
Regression with non-Euclidean responses -- e.g., probability distributions, networks, symmetric positive-definite matrices, and compositions -- has become increasingly important in modern applications. In this paper, we propose deep…
Deep learning (DL) workflows demand an ever-increasing budget of compute and energy in order to achieve outsized gains. Neural architecture searches, hyperparameter sweeps, and rapid prototyping consume immense resources that can prevent…
We propose extrinsic and intrinsic deep neural network architectures as general frameworks for deep learning on manifolds. Specifically, extrinsic deep neural networks (eDNNs) preserve geometric features on manifolds by utilizing an…
Multiscale dynamical systems, modeled by high-dimensional stiff ordinary differential equations (ODEs) with wide-ranging characteristic timescales, arise across diverse fields of science and engineering, but their numerical solvers often…
Well-trained deep neural networks (DNNs) treat all test samples equally during prediction. Adaptive DNN inference with early exiting leverages the observation that some test examples can be easier to predict than others. This paper presents…
The effectiveness of deep neural networks (DNN) in vision, speech, and language processing has prompted a tremendous demand for energy-efficient high-performance DNN inference systems. Due to the increasing memory intensity of most DNN…
The recent ground-breaking advances in deep learning networks ( DNNs ) make them attractive for embedded systems. However, it can take a long time for DNNs to make an inference on resource-limited embedded devices. Offloading the…
Deep neural networks proved to be a very useful and powerful tool with many practical applications. They especially excel at learning from large data sets with labeled samples. However, in order to achieve good learning results, the network…
Using machine learning, we explore the utility of various deep neural networks (NN) when applied to high harmonic generation (HHG) scenarios. First, we train the NNs to predict the time-dependent dipole and spectra of HHG emission from…