Related papers: Physics-aware neural networks enable robust and fu…

Electron tomography, as an important 3D imaging method, offers a powerful method to probe the 3D structure of materials from the nano- to the atomic-scale. However, as a grant challenge, radiation intolerance of the nanoscale samples and…

In this paper, we develop a deep learning approach for the accurate solution of challenging problems of near-field microscopy that leverages the powerful framework of physics-informed neural networks (PINNs) for the inversion of the complex…

Accurate simulation of atomic systems has the potential to revolutionize the design of molecules and materials. Unfortunately, exact solutions of the Schr\"odinger equation scale as O(N!) and remain inaccessible for systems with more than a…

This work describes extensions to existing level-set algorithms developed for application within the field of Atom Probe Tomography (APT). We present a new simulation tool for the simulation of 3D tomographic volumes, using advanced level…

The fusion of artificial intelligence (AI) with physics-guided frameworks has opened transformative avenues for advancing the design and optimization of electromagnetic and nanophotonic systems. Innovations in deep neural networks (DNNs)…

Oral Disintegrating Tablets (ODTs) is a novel dosage form that can be dissolved on the tongue within 3min or less especially for geriatric and pediatric patients. Current ODT formulation studies usually rely on the personal experience of…

TANet is one of state-of-the-art 3D object detection method on KITTI and JRDB benchmark, the network contains a Triple Attention module and Coarse-to-Fine Regression module to improve the robustness and accuracy of 3D Detection. However,…

Point defects play a central role in driving the properties of materials. First-principles methods are widely used to compute defect energetics and structures, including at scale for high-throughput defect databases. However, these methods…

Despite the remarkable performance, modern deep neural networks are inevitably accompanied by a significant amount of computational cost for learning and deployment, which may be incompatible with their usage on edge devices. Recent efforts…

Photonic neural network (PNN) is a remarkable analog artificial intelligence (AI) accelerator that computes with photons instead of electrons to feature low latency, high energy efficiency, and high parallelism. However, the existing…

Predicting quantum chemical properties is a fundamental challenge for computational chemistry. While the development of graph neural networks has advanced molecular representation learning and property prediction, their performance could be…

In this work, we use artificial neural networks (ANNs) to recognize the material composition, sizes of nanoparticles and their concentrations in different media with high accuracy, solely from the absorbance spectrum of a macroscopic…

We present polynomial-augmented neural networks (PANNs), a novel machine learning architecture that combines deep neural networks (DNNs) with a polynomial approximant. PANNs combine the strengths of DNNs (flexibility and efficiency in…

The design of chiral metasurfaces with tailored optical properties remains a central challenge in nanophotonics due to the highly nonlinear relationship between geometry and chiroptical response. Machine-learning-assisted optimization…

Predicting materials properties from composition or structure is of great interest to the materials science community. Deep learning has recently garnered considerable interest in materials predictive tasks with low model errors when…

Cryo-electron tomography (cryo-ET) enables structural characterization of biomolecules under near-native conditions. Existing approaches for interpreting the resulting three-dimensional volumes are computationally expensive and have…

This paper documents package for the particle level fast simulation. The package is designed to complete the AcerMC generator framework with the easy-to-use simulation and reconstruction algorithms. The package provides, starting from list…

Transmission electron microscopy (TEM) is a powerful imaging tool that has found broad application in materials science, nanoscience and biology(1-3). With the introduction of aberration-corrected electron lenses, both the spatial…

Precise analysis of nanoparticles for characterization in electron microscopy images is essential for advancing nanomaterial development. Yet it remains challenging due to the time-consuming nature of manual methods and the shortcomings of…

Replacing non-polynomial functions (e.g., non-linear activation functions such as ReLU) in a neural network with their polynomial approximations is a standard practice in privacy-preserving machine learning. The resulting neural network,…