相关论文: Graph Neural Network Prediction of Nonlinear Optic…

Laser cutting is a widely adopted technology in material processing across various industries, but it generates a significant amount of dust, smoke, and aerosols during operation, posing a risk to both the environment and workers' health.…

The recent success of graph neural networks has significantly boosted molecular property prediction, advancing activities such as drug discovery. The existing deep neural network methods usually require large training dataset for each…

This study proposes a novel approach utilizing a physics-informed deep learning (DL) algorithm to reconstruct occluded objects in a terahertz (THz) holographic system. Taking the angular spectrum theory as prior knowledge, we generate a…

Large Language Models (LLMs) have emerged as a popular choice in vulnerability detection studies given their foundational capabilities, open source availability, and variety of models, but have limited scalability due to extensive compute…

By leveraging recent progress of stochastic gradient descent methods, several works have shown that graphs could be efficiently laid out through the optimization of a tailored objective function. In the meantime, Deep Learning (DL)…

Intense laser-driven nonlinear optical phenomena in two-dimensional (2D) nodal-line semimetals (NLS) exhibit complex mechanisms, particularly in the NbSi$_{x}$Te$_{2}$ material systems characterized by nonsymmorphic symmetry-protected band…

Photonic neural networks perform brain-inspired computations using photons instead of electrons that can achieve substantially improved computing performance. However, existing architectures can only handle data with regular structures,…

Computational materials screening studies require fast calculation of the properties of thousands of materials. The calculations are often performed with Density Functional Theory (DFT), but the necessary computer time sets limitations for…

Atomic data determined by analysis of observed atomic spectra are essential for plasma diagnostics. For each low-ionisation open d- and f-subshell atomic species, around $10^3$ fine structure level energies can be determined through years…

It has been a long-standing materials science challenge to establish structure-property relations in amorphous solids. Here we introduce a rotation-variant local structure representation that enables different predictions for different…

Graph Neural Networks (GNNs) have emerged as a dominant paradigm for graph classification. Specifically, most existing GNNs mainly rely on the message passing strategy between neighbor nodes, where the expressivity is limited by the…

A good initialization of deep learning models is essential since it can help them converge better and faster. However, pretraining large models is unaffordable for many researchers, which makes a desired prediction for initial parameters…

Graph neural networks (GNNs) have shown promise in learning the ground-state electronic properties of materials, subverting ab initio density functional theory (DFT) calculations when the underlying lattices can be represented as small…

Deep learning with artificial neural networks is increasingly gaining attention, because of its potential for data-driven astronomy. However, this methodology usually does not provide uncertainties and does not deal with incompleteness and…

Deep generative models hold great promise for inverse materials design, yet their efficiency and accuracy remain constrained by data scarcity and model architecture. Here, we introduce AlloyGAN, a closed-loop framework that integrates Large…

Deep learning can be used to drastically decrease the processing time of parameter estimation for coalescing binaries of compact objects including black holes and neutron stars detected in gravitational waves (GWs). As a first step, we…

Manipulation of material properties via precise doping affords enormous tunable phenomena to explore. Recent advance shows that in the atomic and nano scales topological states of dopants play crucial roles in determining their properties.…

Deep-learning algorithms enable precise image recognition based on high-dimensional hierarchical image features. Here, we report the development and implementation of a deep-learning-based image segmentation algorithm in an autonomous…

Our algorithm GNN: Graph Neural Network and Large Language Model for Data Discovery inherit the benefits of \cite{hoang2024plod} (PLOD: Predictive Learning Optimal Data Discovery), \cite{Hoang2024BODBO} (BOD: Blindly Optimal Data Discovery)…

We propose Neural Gradient Learning (NGL), a deep learning approach to learn gradient vectors with consistent orientation from 3D point clouds for normal estimation. It has excellent gradient approximation properties for the underlying…