This is a page that curates AI-related papers published worldwide. All content here is summarized using Google Gemini and operated on a non-profit basis. Copyright for each paper belongs to the authors and their institutions; please make sure to credit the source when sharing.
SpectrumWorld: Artificial Intelligence Foundation for Spectroscopy
Created by
Haebom
Author
Zhuo Yang, Jiaqing Xie, Shuaike Shen, Daolang Wang, Yeyun Chen, Ben Gao, Shuzhou Sun, Biqing Qi, Dongzhan Zhou, Lei Bai, Linjiang Chen, Shufei Zhang, Jun Jiang, Tianfan Fu, Yuqiang Li
Outline
SpectrumLab is an integrated platform designed to systematize and accelerate deep learning research in spectroscopy. Its core components include a comprehensive Python library containing data processing and evaluation tools and leaderboards; the SpectrumAnnotator module, which generates high-quality benchmarks from limited seed data; and SpectrumBench, a multi-layered benchmark suite covering 14 spectroscopic tasks and over 10 spectral types. SpectrumBench contains spectra from over 1.2 million chemicals. A rigorous empirical study of SpectrumBench using 18 state-of-the-art multimodal LLMs reveals significant limitations of current approaches.
Takeaways, Limitations
•
Takeaways:
◦
Providing an integrated platform to standardize and accelerate deep learning research in spectroscopy.
◦
Provides data processing and evaluation tools, a benchmark generation module, and a suite of benchmarks covering a variety of spectroscopic tasks.
◦
An empirical study using 18 state-of-the-art multimodal LLMs reveals the Limitations of existing approaches.
◦
Laying an important foundation for future developments in deep learning-based spectroscopy.
•
Limitations:
◦
Although the paper presents important Limitations of the current approach, the specific Limitations contents are not detailed in the paper.
◦
The long-term maintenance and scalability of the SpectrumLab platform needs to be reviewed.
◦
Although it covers a wide range of spectrum types, it may not completely cover all types of spectrum.