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Molecule generation is a very important practical problem, with uses in drug discovery and material design, and AI methods promise to provide useful solutions. However, existing methods for molecule generation focus either on 2D graph…

Machine Learning · Computer Science 2024-02-07 Chenqing Hua , Sitao Luan , Minkai Xu , Rex Ying , Jie Fu , Stefano Ermon , Doina Precup

Auger decay is a relaxation process of core-vacant states in atoms and molecules, in which one valence electron fills the core vacancy while a second one is emitted. These states pose a challenge to electronic-structure theory, because they…

Chemical Physics · Physics 2023-07-26 Florian Matz , Thomas-Christian Jagau

A novel concept of a \textit{mesocavity}, based on a simple yet counter-intuitive idea of covering metal nanoparticles with unusually thick ($\gtrsim 100$ nm) high-index dielectric shells, is demonstrated in technologically relevant and…

In medical image segmentation, particularly in UNet-like architectures, upsampling is primarily used to transform smaller feature maps into larger ones, enabling feature fusion between encoder and decoder features and supporting multi-scale…

Computer Vision and Pattern Recognition · Computer Science 2026-01-27 Chengkun Sun , Jinqian Pan , Renjie Liang , Zhengkang Fan , Xin Miao , Jiang Bian , Jie Xu

The architecture, engineering and construction (AEC) industry is constantly evolving to meet the demand for sustainable and effective design and construction of the built environment. In the literature, two primary deposition techniques for…

Computer Vision and Pattern Recognition · Computer Science 2025-12-02 Karam Mawas , Mehdi Maboudi , Pedro Achanccaray , Markus Gerke

Medical image synthesis has become an essential strategy for augmenting datasets and improving model generalization in data-scarce clinical settings. However, fine-grained and controllable synthesis remains difficult due to limited…

Image and Video Processing · Electrical Eng. & Systems 2025-09-09 Shuhan Ding , Jingjing Fu , Yu Gu , Naiteek Sangani , Mu Wei , Paul Vozila , Nan Liu , Jiang Bian , Hoifung Poon

The authors report in situ Auger electron spectroscopy (AES) of the surfaces of complex oxides thin films grown by pulsed laser deposition (PLD). The authors demonstrate the utility of the technique in studying chemical composition by…

Materials Science · Physics 2021-02-10 Thomas Orvis , Mythili Surendran , Yang Liu , Austin Cunniff , Jayakanth Ravichandran

Atomic layer deposition (ALD) is widely studied for numerous applications and is commercially employed in the semiconductor industry, where planar substrates are the norm. However, the inherent ALD feature of coating virtually any surface…

In studying solidification process by simulations on the atomic scale, the modeling of crystal nucleation or amorphisation requires the construction of interatomic interactions that are able to reproduce the properties of both the solid and…

Emergence of artificial intelligence techniques in biomedical applications urges the researchers to pay more attention on the uncertainty quantification (UQ) in machine-assisted medical decision making. For classification tasks, prior…

Machine Learning · Computer Science 2019-09-17 Xiaoyang Huang , Jiancheng Yang , Linguo Li , Haoran Deng , Bingbing Ni , Yi Xu

Dense prediction tasks are common for 3D point clouds, but the uncertainties inherent in massive points and their embeddings have long been ignored. In this work, we present CUE, a novel uncertainty estimation method for dense prediction…

Robotics · Computer Science 2023-02-28 Kaiwen Cai , Chris Xiaoxuan Lu , Xiaowei Huang

In situ studies under severe plastic deformation at high pressures, employing rotational/shear diamond anvil cells (RDAC), have recently gained much interest in the high-pressure community owing to their potential applications in material…

Materials Science · Physics 2023-12-22 K. K. Pandey , H. K. Poswal

Spatial Atomic Layer Deposition (SALD) is a recent approach that is up to two orders of magnitude faster than conventional ALD, and that can be performed at atmospheric pressure and even in the open air. Previous works have exploited these…

Annotating 3D medical images demands expert knowledge and is time-consuming. As a result, semi-supervised learning (SSL) approaches have gained significant interest in 3D medical image segmentation. The significant size differences among…

Computer Vision and Pattern Recognition · Computer Science 2024-10-21 Yuliang Gu , Yepeng Liu , Zhichao Sun , Jinchi Zhu , Yongchao Xu , Laurent Najman

The ability of detecting and separating CTCs can play a key role in early cancer detection and treatment. In recent years, there has been growing interest in using deformability-based CTC separation microfilters due to their simplicity and…

Cell Behavior · Quantitative Biology 2016-01-11 Mohammad Aghaamoo , Zhifeng Zhang , Xiaolin Chen , Jie Xu

Drop-wise condensation (DWC) has been the focus of scientific research in vapor condensation technologies since the 20th century. Improvement of condensation rate in DWC is limited by the maximum droplet a condensation surface could…

Fluid Dynamics · Physics 2021-03-25 Ali Alshehri , Jonathan P. Rothstein , H. Pirouz Kavehpour

Atomic layer deposition (ALD) is a promising technique to functionalize particle surfaces for energy applications including energy storage, catalysis, and decarbonization. In this work, we present a set of models of ALD particle coating to…

Materials Science · Physics 2024-12-04 Angel Yanguas-Gil , Jeffrey W. Elam

We present an experimental method for the in-situ observation of directional-solidification fronts in bulk samples of transparent eutectic alloys. The growth front is observed obliquely in dark field through the liquid and a glass wall of…

Electrohydrodynamic 3D printing is an additive manufacturing technique with enormous potential in plasmonics, microelectronics, and sensing applications, thanks to its broad materials palette, high voxel deposition rate, and compatibility…

Fluid Dynamics · Physics 2023-08-17 Maxence Menétrey , Lukáš Zezulka , Pascal Fandré , Fabian Schmid , Ralph Spolenak