I am a Research Scientist at NVIDIA, focusing on AI-driven drug discovery. Prior to that, I received my Ph.D. degree in Computer Science from Texas A&M University in 2023, under the supervision of Prof. Shuiwang Ji. During my doctoral study, I've interned at Google, Meta, and Fujitsu. I earned my bachelor's degree in Electronic Engineering from Tsinghua University in 2019, advised by Prof. Liangrui Peng.
(* indicates equal contribution and † indicates equal Advising.)
Molecule Generation with Fragment Retrieval Augmentation
Seul Lee, Karsten Kreis, Srimukh Prasad Veccham, Meng Liu, Danny Reidenbach, Saee Paliwal, Arash Vahdat†, and Weili Nie†
Advances in Neural Information Processing Systems (NeurIPS), 2024
On the Markov Property of Neural Algorithmic Reasoning: Analyses and Methods
Montgomery Bohde*, Meng Liu*, Alexandra Saxton, Shuiwang Ji
International Conference on Learning Representations (ICLR), 2024
Spotlight
Empowering GNNs via Edge-Aware Weisfeiler-Leman Algorithm
Meng Liu, Haiyang Yu, and Shuiwang Ji
Transactions on Machine Learning Research (TMLR), 2024
Video Timeline Modeling for News Story Understanding
Meng Liu, Mingda Zhang, Jialu Liu, Hanjun Dai, Ming-Hsuan Yang, Shuiwang Ji, Zheyun Feng, and Boqing Gong
Advances in Neural Information Processing Systems (NeurIPS), Track on Datasets and Benchmarks, 2023
Spotlight
QH9: A Quantum Hamiltonian Prediction Benchmark for QM9 Molecules
Haiyang Yu*, Meng Liu*, Youzhi Luo, Alex Strasser, Xiaofeng Qian†, Xiaoning Qian†, and Shuiwang Ji†
Advances in Neural Information Processing Systems (NeurIPS), Track on Datasets and Benchmarks, 2023
Joint Learning of Label and Environment Causal Independence for Graph Out-of-Distribution Generalization
Shurui Gui, Meng Liu, Xiner Li, Youzhi Luo, and Shuiwang Ji
Advances in Neural Information Processing Systems (NeurIPS), 2023
Graph Mixup with Soft Alignments
Hongyi Ling, Zhimeng Jiang, Meng Liu, Shuiwang Ji†, and Na Zou†
International Conference on Machine Learning (ICML), 2023
Gradient-Guided Importance Sampling for Learning Binary Energy-Based Models
Meng Liu, Haoran Liu, and Shuiwang Ji
International Conference on Learning Representations (ICLR), 2023
Generating 3D Molecules for Target Protein Binding
Meng Liu, Youzhi Luo, Kanji Uchino, Koji Maruhashi, and Shuiwang Ji
International Conference on Machine Learning (ICML), 2022
Oral (2.1% acceptance rate)
GraphFM: Improving Large-Scale GNN Training via Feature Momentum
Haiyang Yu*, Limei Wang*, Bokun Wang*, Meng Liu, Tianbao Yang, and Shuiwang Ji
International Conference on Machine Learning (ICML), 2022
Advanced Graph and Sequence Neural Networks for Molecular Property Prediction and Drug Discovery
Zhengyang Wang*, Meng Liu*, Youzhi Luo*, Zhao Xu*, Yaochen Xie*, Limei Wang*, Lei Cai*, Qi Qi, Zhuoning Yuan, Tianbao Yang, and Shuiwang Ji
Bioinformatics, 2022
Rank #1 on AI Cures open challenge for COVID-19
Spherical Message Passing for 3D Molecular Graphs
Yi Liu*, Limei Wang*, Meng Liu, Yuchao Lin, Xuan Zhang, Bora Oztekin, and Shuiwang Ji
International Conference on Learning Representations (ICLR), 2022
Neighbor2Seq: Deep Learning on Massive Graphs by Transforming Neighbors to Sequences
Meng Liu and Shuiwang Ji
SIAM International Conference on Data Mining (SDM), 2022
Non-Local Graph Neural Networks
Meng Liu*, Zhengyang Wang*, and Shuiwang Ji
IEEE Transactions on Pattern Analysis and Machine Intelligence (TPAMI), 2021
Fast Quantum Property Prediction via Deeper 2D and 3D Graph Networks
Meng Liu*, Cong Fu*, Xuan Zhang, Limei Wang, Yaochen Xie, Hao Yuan, Youzhi Luo, Zhao Xu, Shenglong Xu, and Shuiwang Ji
AI4Science Workshop at NeurIPS, 2021
Awardee of KDD Cup 2021 on OGB-LSC
DIG: A Turnkey Library for Diving into Graph Deep Learning Research
Meng Liu*, Youzhi Luo*, Limei Wang*, Yaochen Xie*, Hao Yuan*, Shurui Gui*, Haiyang Yu*, Zhao Xu, Jingtun Zhang, Yi Liu, Keqiang Yan, Haoran Liu, Cong Fu, Bora Oztekin, Xuan Zhang, and Shuiwang Ji
Journal of Machine Learning Research (JMLR), 2021
GraphEBM: Molecular Graph Generation with Energy-Based Models
Meng Liu, Keqiang Yan, Bora Oztekin, and Shuiwang Ji
EBM Workshop at ICLR, 2021
Towards Deeper Graph Neural Networks
Meng Liu, Hongyang Gao, and Shuiwang Ji
ACM SIGKDD International Conference on Knowledge Discovery and Data Mining (KDD), 2020
Here is my CV[PDF].