Yili Chen | Searcharxiv

arXiv2025

Mock Observations for the CSST Mission: CPI-C -- Instrument Simulation

To support the development of the data processing pipeline and the scientific performance assessment for the Cool Planet Imaging Coronagraph (CPI-C) on the Chinese Space Station Survey Telescope (CSST), we have developed the end-to-end instrument simulation program, CPISM. This paper details the core modules of CPISM that simulate the CPI-C instrument, focusing on the simulation of the high-contrast imaging optical system and the visible-band science camera. We modeled key optical components, such as the transmission apodizing filter, the wavefront corrector, and the focal plane mask using the HCIPy package. A $10^{-8}$ contrast dark hole region, consistent with design specifications, was simulated using the Electric Field Conjugation (EFC) optimization method, and broadband observation effects were considered. For the science camera, which is an electron multiplying charge-coupled device (EMCCD), we established a detailed model encompassing photon collection, charge transfer, electron multiplication (EM), and readout processes, based on test data. This model simulates complex instrumental features including dark current, charge transfer efficiency, clock-induced charge, multiplication noise factor, and various readout effects like striping and drift. We also proposed and validated an improved statistical model for the EM process to enhance simulation efficiency. CPISM can generate simulated images containing rich instrumental details, closely similar to the expected real observational data, thus laying the foundation for the development and verification of CPI-C data processing algorithms and preparations for future scientific research.

astro-ph.IM↗

arXiv2024

CTAGE: Curvature-Based Topology-Aware Graph Embedding for Learning Molecular Representations

AI-driven drug design relies significantly on predicting molecular properties, which is a complex task. In current approaches, the most commonly used feature representations for training deep neural network models are based on SMILES and molecular graphs. While these methods are concise and efficient, they have limitations in capturing complex spatial information. Recently, researchers have recognized the importance of incorporating three-dimensional information of molecular structures into models. However, capturing spatial information requires the introduction of additional units in the generator, bringing additional design and computational costs. Therefore, it is necessary to develop a method for predicting molecular properties that effectively combines spatial structural information while maintaining the simplicity and efficiency of graph neural networks. In this work, we propose an embedding approach CTAGE, utilizing $k$-hop discrete Ricci curvature to extract structural insights from molecular graph data. This effectively integrates spatial structural information while preserving the training complexity of the network. Experimental results indicate that introducing node curvature significantly improves the performance of current graph neural network frameworks, validating that the information from k-hop node curvature effectively reflects the relationship between molecular structure and function.

cs.LG↗