Daily Papers

Single-atom catalysts (SACs) have emerged as frontiers for catalyzing chemical reactions, yet the diverse combinations of active elements and support materials, the nature of coordination environments, elude traditional methodologies in searching optimal SAC systems with superior catalytic performance. Herein, by integrating multi-branch Convolutional Neural Network (CNN) analysis models to hybrid descriptor based activity volcano plot, 2D SAC system composed of diverse metallic single atoms anchored on six type of 2D supports, including graphitic carbon nitride, nitrogen-doped graphene, graphene with dual-vacancy, black phosphorous, boron nitride, and C2N, are screened for efficient CO2RR. Starting from establishing a correlation map between the adsorption energies of intermediates and diverse electronic and elementary descriptors, sole singular descriptor lost magic to predict catalytic activity. Deep learning method utilizing multi-branch CNN model therefore was employed, using 2D electronic density of states as input to predict adsorption energies. Hybrid-descriptor enveloping both C- and O-types of CO2RR intermediates was introduced to construct volcano plots and limiting potential periodic table, aiming for intuitive screening of catalyst candidates for efficient CO2 reduction to CH4. The eDOS occlusion experiments were performed to unravel individual orbital contribution to adsorption energy. To explore the electronic scale principle governing practical engineering catalytic CO2RR activity, orbitalwise eDOS shifting experiments based on CNN model were employed. The study involves examining the adsorption energy and, consequently, catalytic activities while varying supported single atoms. This work offers a tangible framework to inform both theoretical screening and experimental synthesis, thereby paving the way for systematically designing efficient SACs.

Ground deformation is regarded in volcanology as a key precursor signal preceding volcanic eruptions. Satellite-based Interferometric Synthetic Aperture Radar (InSAR) enables consistent, global-scale deformation tracking; however, deep learning methods remain largely unexplored in this domain, mainly due to the lack of a curated machine learning dataset. In this work, we build on the existing Hephaestus dataset, and introduce Hephaestus Minicubes, a global collection of 38 spatiotemporal datacubes offering high resolution, multi-source and multi-temporal information, covering 44 of the world's most active volcanoes over a 7-year period. Each spatiotemporal datacube integrates InSAR products, topographic data, as well as atmospheric variables which are known to introduce signal delays that can mimic ground deformation in InSAR imagery. Furthermore, we provide expert annotations detailing the type, intensity and spatial extent of deformation events, along with rich text descriptions of the observed scenes. Finally, we present a comprehensive benchmark, demonstrating Hephaestus Minicubes' ability to support volcanic unrest monitoring as a multi-modal, multi-temporal classification and semantic segmentation task, establishing strong baselines with state-of-the-art architectures. This work aims to advance machine learning research in volcanic monitoring, contributing to the growing integration of data-driven methods within Earth science applications.