From the 1 of 9 linked papers with an AI index.
9 papers
Uni-XAS: Alignment-Driven Bidirectional Multimodal Learning for X-ray Absorption Spectroscopy
Suyang Zhong, Yuhao Zhao, Boying Huang +6
X-ray absorption spectroscopy (XAS) is a key technique for probing local atomic environments, yet learning based modeling must bridge two heterogeneous modalities: 1D continuous sp…
Ai2-Kit: Streamlining AI-Accelerated Ab Initio Workflows for Complex Chemical Systems
Sheng Bi, Wei-Hong Xu, Yong-Bin Zhuang +47
The paper introduces ai2-kit, a software toolkit that streamlines AI‑accelerated ab initio workflows for complex chemical systems by providing command‑line and Python interfaces fo…
SpecVQA: A Benchmark for Spectral Understanding and Visual Question Answering in Scientific Images
Jialu Shen, Han Lyu, Suyang Zhong +5
Spectra are a prevalent yet highly information-dense form of scientific imagery, presenting substantial challenges to multimodal large language models (MLLMs) due to their unstruct…
Solving the inverse problem of X-ray absorption spectroscopy via physics-informed deep learning
Suyang Zhong, Boying Huang, Pengwei Xu +6
Resolving transient atomic configurations in non-crystalline or dynamic environments remains a fundamental bottleneck in the physical sciences. While X-ray absorption spectroscopy…
Automated Discovery of Test Oracles for Database Management Systems Using LLMs
Qiuyang Mang, Runyuan He, Suyang Zhong +3
Since 2020, automated testing for Database Management Systems (DBMSs) has flourished, uncovering hundreds of bugs in widely-used systems. A cornerstone of these techniques is test…
Uni-Parser Technical Report
Xi Fang, Haoyi Tao, Shuwen Yang +8
This technical report introduces Uni-Parser, an industrial-grade document parsing engine tailored for scientific literature and patents, delivering high throughput, robust accuracy…