Publications
Selected Papers
ToolRosetta: Bridging Open-Source Repositories and Large Language Model Agents through Automated Tool Standardization
TL;DR: 提出了自动标准化框架ToolRosetta，实现了开源代码仓库向大语言模型可调用的标准化工具服务的自动转化与内置安全管控，打破了依赖人工封装工具的扩展瓶颈，提升了智能体在跨学科科学任务中的综合表现。
Automating Computational Fluid Dynamics with LLM-based Multi-Agent Systems
TL;DR: 提出了计算流体力学端到端全流程自动化的多智能体框架Foam-Agent，结合MCP协议与依赖感知调度，实现了从自然语言指令到网格生成、HPC计算及可视化后处理的CFD全流程自动化。
Sci-VLA: Agentic VLA Inference Plugin for Long-Horizon Tasks in Scientific Experiments
TL;DR: 提出了无需训练的Agentic VLA推理插件，通过LLM动态生成过渡动作代码填补原子任务间的状态鸿沟，从推理侧解决了科学实验场景下VLA模型在长程组合任务中的分布失配与执行中断难题。
PeroMAS: A Multi-agent System of Perovskite Material Discovery
TL;DR: 构建了首个面向钙钛矿材料发现的全流程多智能体系统PeroMAS，实现了从文献挖掘、逆向设计到虚拟筛选的闭环，并通过真实湿实验验证了从算法设计到物理合成的可行性。
Code2MCP: Transforming Code Repositories into MCP Services
TL;DR: 实现了GitHub仓库向标准化MCP服务的自动化转化，从供给侧解决了智能体工具生态的扩展瓶颈。
When AI Reviews Science: Can We Trust the Referee?
TL;DR: 刻画AI同行评审在训练/检索、初筛、深度评审、rebuttal到系统层面的全流程攻击面，从而为可信AI评审的评估与防护提供基线与改进方向。
All Papers
AI-Aided Structural Design and Stability of Hybrid Semiconductor Photovoltaics
Shaoqiang Wang, Wei Liu, Yifan Li, Xiaochun Zhang, Shimin Di, Qing Cao*, Guixiang Li*
科学通报（国内创办中文期刊）
Code2MCP: Transforming Code Repositories into MCP Services
Chaoqian Ouyang, Ling Yue, Shimin Di*, Libin Zheng*, Linan Yue, Shaowu Pan, Jian Yin, Min-Ling Zhang
Agents Workshop @ NeurIPS 2025
When AI Reviews Science: Can We Trust the Referee?
Jialiang Wang, Yuchen Liu, Hang Xu, Kaichun Hu, Shimin Di*, Wangze Ni*, Linan Yue, Min-Ling Zhang, Kui Ren, Lei Chen
The Innovation Informatics（国内创办英文期刊）
Towards Self-cognitive Exploration: Metacognitive Knowledge Graph Retrieval Augmented Generation
Xujie Yuan, Shimin Di, Jielong Tang, Libin Zheng, Jian Yin
SIGKDD 2026
CoS: Towards Optimal Event Scheduling via Chain-of-Scheduling
Yiming Zhao, Jiwei Tang, Shimin Di, Libin Zheng, Jianxing Yu, Jian Yin
AAAI 2026
Faithful in Steps: Improving Generalization and Citation in RAG via Query Decomposition
Yue Liu, Zhongying Ru, Shimin Di, Jipeng Zhang, Ruiyuan Zhang, Xiaofang Zhou
AAAI 2026
RemoteReasoner: Towards Unifying Geospatial Reasoning Workflow
Liang Yao, Fan Liu*, Hongbo Lu, Chuanyi Zhang, Rui Min, Shengxiang Xu, Shimin Di, Pai Peng
AAAI 2026
TIV: Thought Injection via Vectors for Efficient Reasoning in Large Reasoning Models
Yi Cao, Weijie Shi, Wei-Jie Xu, Yucheng Shen, Yue Cui, Hanghui Guo, Shimin Di, Ziyi Liu, Jiaming Li, Alexander Zhou, Jia Zhu, Jiajie Xu
AAAI 2026
Proficient Graph Neural Network Design by Accumulating Knowledge on Large Language Models
Jialiang Wang, Hanmo Liu, Shimin Di, Zhili Wang, Jiachuan Wang*, Lei Chen*, Xiaofang Zhou
WSDM 2026
A Pilot Empirical Study on When and How to Use Knowledge Graphs as Retrieval Augmented Generation
Xujie Yuan, Yongxu Liu, Shimin Di*, Shiwen Wu, Libin Zheng, Rui Meng, Lei Chen, Xiaofang Zhou, Jian Yin
DASFAA 2026
Understanding the Embedding Models on Hyper-relational Knowledge Graph
Yubo Wang, Shimin Di*, Zhili Wang, Haoyang Li, Fei Teng, Hao Xin, Lei Chen
CIKM 2025
UEMM-Air: Enable UAVs to Undertake More Multi-modal Tasks
Liang Yao, Fan Liu*, Shengxiang Xu, Chuanyi Zhang, Shimin Di, Xing Ma, Jianyu Jiang, Zequan Wang, Jun Zhou
ACM MM 2025
RemoteSAM: Towards Segment Anything for Earth Observation
Liang Yao, Fan Liu*, Delong Chen, Chuanyi Zhang, Yijun Wang, Ziyun Chen, Wei Xu, Shimin Di, Yuhui Zheng
ACM MM 2025
DioR: Adaptive Cognitive Detection and Contextual Retrieval Optimization for Dynamic Retrieval-Augmented Generation
Hanghui Guo, Jia Zhu*, Shimin Di*, Weijie Shi*, Zhangze Chen, Jiajie Xu
ACL 2025 main
ESCFD: Probabilistic Flow Diffusion Model for Accelerated High-Quality Single-Cell RNA-seq Data Synthesis
Shuangyin Li, Jihua Yang, Yixuan Wang*, Shimin Di*, Lei Chen
SIGKDD 2025
A Selective Learning Method for Temporal Graph Continual Learning
Hanmo Liu, Shimin Di*, Haoyang Li, Xun Jian, Yue Wang, Lei Chen
ICML 2025
Structuring Benchmark into Knowledge Graphs to Assist Large Language Models in Retrieving and Designing Models
Hanmo Liu, Shimin Di*, Jialiang Wang, Zhili Wang, Jiachuan Wang, Xiaofang Zhou, Lei Chen
ICLR 2025
FGRCAT: A Fine-Grained Reasoning Framework through Causality and Adversarial Training
Hanghui Guo, Shimin Di, Zhangze Chen, Changfan Pan, Chaojun Meng, Jia Zhu*
ESWA 2025
Efficient Latent-based Scoring Function Search for N-ary Relational Knowledge Bases
Shimin Di, Yongqi Zhang*, Quanming Yao, Xiaofang Zhou, Lei Chen
TKDD 2025
A Universal and Interpretable Method for Enhancing Stock Price Prediction
Yuchen Liu, Shimin Di*, Lei Chen, Xiaofang Zhou, Fei Lin
CIKM 2024
Learning from Emergence: A Study on Proactively Inhibiting the Monosemantic Neurons of Artificial Neural Networks
Jiachuan Wang, Shimin Di*, Lei Chen, Charles Wang-wai Ng
SIGKDD 2024
SimDiff: Simple Denoising Probabilistic Latent Diffusion Model for data augmentation on Multi-modal Knowledge Graph
Ran Li, Shimin Di*, Lei Chen, Xiaofang Zhou
SIGKDD 2024
Fight Fire with Fire: Towards Robust Graph Neural Networks on Dynamic Graphs via Actively Defense
Haoyang Li, Shimin Di*, Calvin Li, Lei Chen, Xiaofang Zhou
VLDB 2024
Search to Fine-tune Pre-trained Graph Neural Networks for Graph-level Tasks
Zhili Wang, Shimin Di*, Lei Chen, Xiaofang Zhou
ICDE 2024
E2GCL: Efficient and Expressive Contrastive Learning on Graph Neural Networks
Haoyang Li, Shimin Di*, Lei Chen, Xiaofang Zhou
ICDE 2024
Effective Data Selection and Replay for Unsupervised Continual Learning
Hanmo Liu, Shimin Di*, Haoyang Li, Shuangyin Li, Lei Chen, Xiaofang Zhou
ICDE 2024
Noise2Info: Noisy Image to Information of Noise for Self-Supervised Image Denoising
Jiachuan Wang, Shimin Di*, Lei Chen, Charles Wang Wai Ng
ICCV 2023
A Message Passing Neural Network Space for Better Capturing Data-dependent Receptive Fields
Zhili Wang, Shimin Di*, Lei Chen
SIGKDD 2023
Incremental Tabular Learning on Heterogeneous Feature Space
Hanmo Liu, Shimin Di*, Lei Chen
SIGMOD 2023
Black-box Adversarial Attack and Defense on Graph Neural Networks
Haoyang Li, Shimin Di*, Zijian Li, Lei Chen, Jiannong Cao
ICDE 2022
Searching to Sparsify Tensor Decomposition for N-ary Relational Data
Shimin Di, Quanming Yao*, Lei Chen
WWW 2021
Efficient Relation-aware Scoring Function Search for Knowledge Graph Embedding
Shimin Di, Yongqi Zhang, Quanming Yao*, Lei Chen
ICDE 2021
AutoGEL: An Automated Graph Neural Network with Explicit Link Information
Zhili Wang, Shimin Di*, Lei Chen
NeurIPS 2021
FluxEV: A Fast and Effective Unsupervised Framework for Time-Series Anomaly Detection
Jia Li, Shimin Di, Yanyan Shen*, Lei Chen
WSDM 2021
Transfer Learning via Feature Isomorphism Discovery
Shimin Di, Jingshu Peng, Yanyan Shen*, Lei Chen
SIGKDD 2018