I am a fifth-year PhD student in the Machine Learning program at Georgia Tech’s School of Electrical and Computer Engineering, supervised by Prof. Pan Li. Before coming to Georgia Tech, I was a PhD student in the Department of Computer Science at Purdue University. Prior to that, I worked at Tencent Big Data Lab after receiving my master’s degree from the University of Illinois Urbana-Champaign. My Chinese given name is 思奇(siqi), pronounced as 思/si/ 奇/tʃiː/. My Chinese surname is 苗(miao), pronounced as 苗/mɪaʊ/. You can also call me Aki.
My current research focuses on:
- AI for science, particularly on geometric deep learning applications in high-energy physics.
- Agentic AI, where I study how large language models can act as autonomous reasoning and simulation agents, and how they can interact with network-structured data.
🔥 News
News in 2025
- 2025.10: Our paper on HEPTv2 is accepted to NeurIPS 2025 Machine Learning and the Physical Sciences Workshop!
- 2025.10: Our paper on Graph-KV is accepted to NeurIPS 2025!
- 2025.06: Our paper on Weak-to-Strong GraphRAG is released on arXiv.
- 2025.04: Our paper on the universal graph structural encoder is released on arXiv.
- 2025.03: Our paper on explainable geometric deep learning is accepted to Nature Machine Intelligence!
- 2025.02: Our paper on SubgraphRAG is accepted to ICLR 2025!
News in 2024
- 2024.11: Our paper on KG-based Retrieval-Augmented Generation is released on arXiv.
- 2024.09: Our paper GeSS on benchmarking OOD performance in geometric deep learning is accepted to NeurIPS 2024 D&B Track.
- 2024.07: Our paper on explainable geometric deep learning is released on arXiv.
- 2024.06: Our paper on graph state space model (GSSC) is released on arXiv.
- 2024.05: Our paper HEPT is accepted to ICML 2024 and selected for oral presentation! See you in Vienna!
- 2024.03: Gave a talk at A3D3 institute HEP group on HEPT.
- 2024.02: Our paper on efficient point transformer (HEPT) is released on arXiv.
News in 2023
- 2023.10: Our paper on benchmarking OOD performance in geometric deep learning is released on arXiv.
- 2023.07: One paper accepted to CTD’23.
- 2023.03: Received ICLR’23 Travel Award! Thanks ICLR and see you in Kigali in the coming May!
- 2023.01: Our paper LRI is accepted to ICLR 2023 and NeurIPS 2022 AI4Science!
News in 2022
- 2022.11: Gave a talk at IML Machine Learning Working Group on LRI with slides here.
- 2022.11: I will be moving to Georgia Tech in December as a PhD student in Machine Learning (ECE) with Prof. Pan Li.
- 2022.11: Our latest paper on model interpretability (LRI) will show up at NeurIPS 2022 AI for Science Workshop!
- 2022.10: Gave two lectures at CS593-CLG(code) and Phys570-AI(code).
- 2022.07: Gave two talks at FastML and AITime on our ICML 2022 paper GSAT(slides).
- 2022.07: Awarded free registration and graduate travel grant for ICML! Thanks!
- 2022.05: One paper accepted to ICML 2022!
📝 Publications

Can LLM Agents Assist Dynamic Network Simulation? A Case Study on Email Networks and Phishing Synthesis
Siqi Miao, Ziyang Chen, Yuhong Luo, Hans Hao-Hsun Hsu, Mufei Li, Kaiqing Zhang, Pan Li. Preprint 2025

Towards unveiling sensitive and decisive patterns in explainable AI with a case study in geometric deep learning
Jiajun Zhu*, Siqi Miao*, Rex Ying, Pan Li. Nature Machine Intelligence
(*Equal contribution)

Simple is Effective: The Roles of Graphs and LLMs in KG-Based Retrieval-Augmented Generation
Mufei Li*, Siqi Miao*, Pan Li. ICLR 2025
(*Equal contribution)

What Can We Learn from State Space Models for Machine Learning on Graphs?
Yinan Huang*, Siqi Miao*, Pan Li. Preprint 2024
(*Equal contribution, listed in alphabetical order)

LSH-Based Efficient Point Transformer with Applications in High-Energy Physics
Siqi Miao, Zhiyuan Lu, Mia Liu, Javier Duarte, Pan Li. ICML 2024 (Oral, Top 1.5%)

Interpretable Geometric Deep Learning via Learnable Randomness Injection
Siqi Miao, Yunan Luo, Mia Liu, Pan Li. ICLR 2023

Interpretable and Generalizable Graph Learning via Stochastic Attention Mechanism
Siqi Miao, Mia Liu, Pan Li. ICML 2022 (Spotlight)
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Locality-Sensitive Hashing-Based Efficient Point Transformer for Charged Particle Reconstruction, Shitij Govil, Jack P Rodgers, Yuan-Tang Chou*, Siqi Miao*, Amit Saha, Advaith Anand, Kilian Lieret, Gage DeZoort, Mia Liu, Javier Duarte, Pan Li, Shih-Chieh Hsu. (*Corresponding authors)
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Graph-KV: Breaking Sequence via Injecting Structural Biases into Large Language Models, Haoyu Wang, Peihao Wang, Mufei Li, Shikun Liu, Siqi Miao, Zhangyang Wang, Pan Li.
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Weak-to-Strong GraphRAG: Aligning Weak Retrievers with Large Language Models for Graph-based Retrieval Augmented Generation, Deyu Zou*, Yongqiang Chen*, Mufei Li, Siqi Miao, Chenxi Liu, Bo Han, James Cheng, Pan Li. (*Equal contribution)
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Towards A Universal Graph Structural Encoder, Jialin Chen, Haolan Zuo, Haoyu Wang, Siqi Miao, Pan Li, Rex Ying.
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GeSS: Benchmarking Geometric Deep Learning under Scientific Applications with Distribution Shifts, Deyu Zou*, Shikun Liu*, Siqi Miao, Victor Fung, Shiyu Chang, Pan Li. (*Equal contribution)
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High Pileup Particle Tracking with Object Condensation, Kilian Lieret, Gage DeZoort, Devdoot Chatterjee, Jian Park, Siqi Miao, Pan Li.
🎖 Honors and Awards
- 2024.07 OpenAI Research Grant (7500 USD API Credits)
- 2024.02 A3D3 Institute HDR NextGen Leaders Fellowship Nominee
- 2023.03 ICLR’23 Travel Award
- 2022.07 ICML’22 Travel Award
- 2022.07 Purdue Graduate Travel Grant
- 2020.03 Tencent Innovation Award
- 2020.01 Tencent Outstanding Employee (Top 10%)
💬 Invited Talks
- 2024.03, A3D3 Institute HEP Group
- 2022.11, Inter-Experimental LHC Machine Learning Working Group, CERN
- 2022.10, Department of Physics, Purdue University
- 2022.08, AI Time
- 2022.07, Fast Machine Learning Lab
💻 Experience
- 2023.01 - Present, Georgia Tech, Research Assistant, Atlanta, USA
- 2021.08 - 2022.12, Purdue University, Research Assistant, West Lafayette, USA
- 2019.07 - 2020.05, Tencent, Machine Learning Engineer, Guangzhou, China
- 2018.05 - 2018.08, Tencent, Machine Learning Intern, Guangzhou, China
📖 Academic Services
- Conference Reviewer: ICML, ICLR, NeurIPS, AAAI, AISTATS, LOG, WWW
- Journal Reviewer: TMLR, IEEE Transactions on Signal Processing
🎮 Misc
- I started cycling in 2025! By June 2025, my FTP reached ~240W. My strava profile is here, and this is my road bike!
- I have 5.5k+ followers on Zhihu, a Quora-like platform in China.
- The Legend of Zelda: Breath of the Wild and The Witcher 3: Wild Hunt are the best games ever. Genshin Impact is also awesome!
- I’m a big fan of Lego Technic. I once combined them with RC cars to build a few cool Lego cars that could drift and climb!
- I built my own PC and home automation system. I also liked to play with Jetson TX2 and Raspberry Pi.
