Geometric scattering has recently gained recognition in graph representation learning, and recent work has shown that integrating scattering features in graph convolution networks (GCNs) can alleviate the typical oversmoothing of features in node representation learning. However, scattering often relies on handcrafted design, requiring careful selection of frequency bands via a cascade of wavelet transforms, as well as an effective weight sharing scheme to combine low- and band-pass information. Here, we introduce a new attention-based architecture to produce adaptive task-driven node representations by implicitly learning node-wise weights for combining multiple scattering and GCN channels in the network. We show the resulting geometric scattering attention network (GSAN) outperforms previous networks in semi-supervised node classification, while also enabling a spectral study of extracted information by examining node-wise attention weights.
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http://dx.doi.org/10.1109/icassp39728.2021.9414557 | DOI Listing |
J Phys Chem A
January 2025
State Key Laboratory of Molecular Reaction Dynamics, Dalian Institute of Chemical Physics, Chinese Academy of Sciences, Dalian 116023, China.
The quantum transition state framework was developed to calculate the reaction path-resolved scattering matrix for atom-diatom reactions in hyperspherical (APH) coordinates. This approach allows for simply and directly calculating the reaction path-resolved scattering matrix, especially when the encircling reaction path is negligible. It could be used to determine the reactivities of specific pathways in a chemical reaction, providing insights into phenomena such as geometric phase effects.
View Article and Find Full Text PDFTalanta
December 2024
Ministry of Education Key Laboratory for Analytical Science of Food Safety and Biology, Fujian Provincial Key Laboratory of Analysis and Detection Technology for Food Safety, College of Chemistry, Fuzhou University, Fuzhou, Fujian, 350108, China. Electronic address:
The flap endonuclease 1 (FEN1) plays a key role in DNA replication and repair, its aberrant expression is associated with tumor development, so it has been recognized as a promising biomarker for a variety of cancers. Here, a novel "turn on" mode gold nanocube-enhanced surface-enhanced Raman scattering (SERS) biosensor was constructed by combining a heated Au electrode (HAuE), exonuclease III (Exo III)-assisted cycle amplification, and gold nanocube (AuNC)-based SERS enhancement to achieve highly sensitive detection of FEN1 activity. The SERS tag was prepared using the Raman reporter modified on the AuNC surface, and the high electromagnetic field provided by the sharp geometric feature of AuNC greatly enhanced the SERS signal.
View Article and Find Full Text PDFAdv Mater
December 2024
Department of Chemistry, University of Pittsburgh, Pittsburgh, PA, 15260, USA.
Magnetoplumbites are one of the most broadly studied families of hexagonal ferrites, typically with high magnetic ordering temperatures, making them excellent candidates for permanent magnets. However, magnetic frustration is rarely observed in magnetoplumbites. Herein, the discovery, synthesis, and characterization of the first Mn-based magnetoplumbite, as well as the first magnetoplumbite involving pnictogens (Sb), ASbMnO (A = K or Rb) are reported.
View Article and Find Full Text PDFChem Biomed Imaging
December 2024
Shu Chien-Gene Lay Department of Bioengineering, University of California San Diego, La Jolla, California 92093, United States.
Nanoscale surface topography is an effective approach in modulating cell-material interactions, significantly impacting cellular and nuclear morphologies, as well as their functionality. However, the adaptive changes in cellular metabolism induced by the mechanical and geometrical microenvironment of the nanotopography remain poorly understood. In this study, we investigated the metabolic activities in cells cultured on engineered nanopillar substrates by using a label-free multimodal optical imaging platform.
View Article and Find Full Text PDFSci Rep
December 2024
Geology Department, Faculty of Science, Al-Azhar University, Cairo, Egypt.
Local magnitude (M) scales have been developed for Egypt based on 14,453 normalized Wood-Anderson amplitudes from 1670 earthquakes. These events were recorded by at least four seismic stations, with hypocentral depths of less than 40 km and earthquake magnitudes ranging from 0.1 to 6.
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