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SpectrumWorld: Artificial Intelligence Foundation for Spectroscopy
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本文介绍SpectrumLab,一个旨在系统化加速光谱学深度学习研究的平台,包括数据工具、创新标注模块和多层基准套件,通过实证研究揭示当前方法的局限。

arXiv:2508.01188v1 Announce Type: cross Abstract: Deep learning holds immense promise for spectroscopy, yet research and evaluation in this emerging field often lack standardized formulations. To address this issue, we introduce SpectrumLab, a pioneering unified platform designed to systematize and accelerate deep learning research in spectroscopy. SpectrumLab integrates three core components: a comprehensive Python library featuring essential data processing and evaluation tools, along with leaderboards; an innovative SpectrumAnnotator module that generates high-quality benchmarks from limited seed data; and SpectrumBench, a multi-layered benchmark suite covering 14 spectroscopic tasks and over 10 spectrum types, featuring spectra curated from over 1.2 million distinct chemical substances. Thorough empirical studies on SpectrumBench with 18 cutting-edge multimodal LLMs reveal critical limitations of current approaches. We hope SpectrumLab will serve as a crucial foundation for future advancements in deep learning-driven spectroscopy.

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SpectrumLab 光谱学 深度学习 数据工具 基准套件
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