Jiaqing Xie

PolyReal: A Benchmark for Real-World Polymer Science Workflows

Wanhao Liu^‡, Weida Wang^‡, Jiaqing Xie, Suorong Yang, Jue Wang, Benteng Chen, Guangtao Mei, Zonglin Yang, Shufei Zhang, Yuchun Mo, Lang Cheng, Jin Zeng, Houqiang Li, Wanli Ouyang, Yuqiang Li

Under Review, Arxiv

R2-Seg: Training-Free OOD Medical Tumor Segmentation via Anatomical Reasoning and Statistical Rejection

Shuaike Shen^‡, Ke Liu^‡, Jiaqing Xie, Shangde Gao, Chunhua Shen, Ge Liu, Mireia Crispin-Ortuzar, Shangqi Gao

Under Review, Arxiv

MolSpectLLM: A Molecular Foundation Model Bridging Spectroscopy, Molecule Elucidation, and 3D Structure Generation

Shuaike Shen^‡, Jiaqing Xie^‡, Zhuo Yang, Antong Zhang, Shuzhou Sun, Ben Gao, Tianfan Fu, Biqing Qi, Yuqiang Li

Under Review, Arxiv

SpectrumWorld: Artificial Intelligence Foundation for Spectroscopy

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, and Yuqiang Li

Under Review, Arxiv

Benchmarking Positional Encodings for GNNs and Graph Transformers

Florian Grotschla^‡, Jiaqing Xie^‡ and Roger Wattenhofer

KDD 2026

QCBench: Evaluating Large Language Models on Domain-Specific Quantitative Chemistry

Jiaqing Xie‡, Weida Wang‡, Ben Gao‡, Zhuo Yang, Haiyuan Wan, Shufei Zhang, Tianfan Fu, and Yuqiang Li

JCIM 2025

Deep Research Arena: The First Exam of LLMs’ Research Abilities via Seminar-Grounded Tasks

Haiyuan Wan, Chen Yang, Junchi Yu, Meiqi Tu, Jiaxuan Lu, Di Yu, Jianbao Cao, Ben Gao, Jiaqing Xie, Aoran Wang, Wenlong Zhang, Philip Torr, Dongzhan Zhou

AAAI 2026

DeepProtein: Deep Learning Library and Benchmark for Protein Sequence Learning

Jiaqing Xie, Yuqiang Li and Tianfan Fu

Bioinformatics 2025