Publications

Filter by tag

Conference Papers

COLM 2026

CrystalSTAR: Structured Action Orchestration with Trio-Reflection for Constrained Novel Crystal Discovery

Chenyi Tong,Jingru Gan,Yanqiao Zhu,Kaiqiao Han,Haixin Wang,Xiao Luo,Yizhou Sun,Wei Wang

Agentic AI Large Language Models AI for Scientific Discovery
COLM 2026

RetroAgent: Harnessing LLMs to Search Over Structured Memory for Agentic Retrosynthesis Planning

Yanqiao Zhu*,Jingru Gan*,Xiaoqi Sun,Fang Sun,Yidan Shi,Md Mofijul Islam,Chao Shang,Wenhao Gao,Connor W. Coley,Yizhou Sun,Wei Wang

Agentic AI Large Language Models AI for Scientific Discovery
KDD 2026

MatSciBench: Benchmarking the Reasoning Ability of Large Language Models in Materials Science

Junkai Zhang*,Jingru Gan*,Xiaoxuan Wang,Zian Jia,Changquan Gu,Jianpeng Chen,Yanqiao Zhu,Mingyu Derek Ma,Dawei Zhou,Ling Li,Wei Wang

Benchmarks Large Language Models AI for Scientific Discovery
KDD Datasets and Benchmarks Track 2025

MetamatBench: Integrating Heterogeneous Data, Computational Tools, and Visual Interface for Metamaterial Discovery

Jianpeng Chen,Wangzhi Zhan,Haohui Wang,Zian Jia,Jingru Gan,Junkai Zhang,Jingyuan Qi,Tingwei Chen,Lifu Huang,Muhao Chen,Ling Li,Wei Wang,Dawei Zhou

Benchmarks AI for Scientific Discovery Metamaterials
Agentic AI @ ICLR 2025 Oral

MatLLMSearch: Crystal Structure Discovery with Evolution-Guided Large Language Models

Jingru Gan,Peichen Zhong,Yuanqi Du,Yanqiao Zhu,Chenru Duan,Haorui Wang,Carla P. Gomes,Kristin A. Persson,Daniel Schwalbe-Koda,Wei Wang

Agentic AI Large Language Models AI for Scientific Discovery
arXiv 2025

Evaluating Large Language Models in Scientific Discovery

Zhangde Song,Jieyu Lu,Yuanqi Du,Botao Yu,Thomas M. Pruyn,Yue Huang,Kehan Guo,Xiuzhe Luo,Yuanhao Qu,Yi Qu,Yinkai Wang,Haorui Wang,Jeff Guo,Jingru Gan,Parshin Shojaee,Di Luo,Andres M. Bran,Gen Li,Qiyuan Zhao,Shao-Xiong Lennon Luo,Yuxuan Zhang,Xiang Zou,Wanru Zhao,Yifan F. Zhang,Wucheng Zhang,Shunan Zheng,Saiyang Zhang,Sartaaj Takrim Khan,Mahyar Rajabi-Kochi,Samantha Paradi-Maropakis,Tony Baltoiu,Fengyu Xie,Tianyang Chen,Kexin Huang,Weiliang Luo,Meijing Fang,Xin Yang,Lixue Cheng,Jiajun He,Soha Hassoun,Xiangliang Zhang,Wei Wang,Chandan K. Reddy,Chao Zhang,Zhiling Zheng,Mengdi Wang,Le Cong,Carla P. Gomes,Chang-Yu Hsieh,Aditya Nandy,Philippe Schwaller,Heather J. Kulik,Haojun Jia,Huan Sun,Seyed Mohamad Moosavi,Chenru Duan

Large Language Models AI for Scientific Discovery
MechInterp @ NeurIPS 2025

Latent Crystallographic Microscope: Probing the Emergent Crystallographic Knowledge in Large Language Models

Jingru Gan,Yanqiao Zhu,Wei Wang

Large Language Models AI for Scientific Discovery
NAACL Demo Track 2025

MetaScientist: A Human-AI Synergistic Framework for Automated Mechanical Metamaterial Design

Jingyuan Qi,Zian Jia,Minqian Liu,Wangzhi Zhan,Junkai Zhang,Xiaofei Wen,Jingru Gan,Jianpeng Chen,Qin Liu,Mingyu Derek Ma,Bangzheng Li,Haohui Wang,Adithya Kulkarni,Muhao Chen,Dawei Zhou,Ling Li,Wei Wang,Lifu Huang

Agentic AI AI for Scientific Discovery Metamaterials
arXiv 2023

Open-Set Knowledge-Based Visual Question Answering with Inference Paths

Jingru Gan,Xinzhe Han,Shuhui Wang,Qingming Huang

Visual Question Answering Knowledge-Based Reasoning
ACMMM 2021 Oral

Multimodal Entity Linking: A New Dataset and A Baseline

Jingru Gan,Jinchang Luo,Haiwei Wang,Shuhui Wang,Wei He,Qingming Huang

Entity Linking Multimodal Learning