GraphNorm: A Principled Approach to Accelerating Graph Neural Network Training. - Tianle Cai; Shengjie Luo; Keyulu Xu; Di He 001; Tie-Yan Liu; Liwei Wang 001 (ICML, 2021)

Stable, Fast and Accurate: Kernelized Attention with Relative Positional Encoding. - Shengjie Luo; Shanda Li; Tianle Cai; Di He 001; Dinglan Peng; Shuxin Zheng; Guolin Ke; Liwei Wang 001; Tie-Yan Liu (NeurIPS, 2021)

Do Transformers Really Perform Badly for Graph Representation? - Chengxuan Ying; Tianle Cai; Shengjie Luo; Shuxin Zheng; Guolin Ke; Di He 001; Yanming Shen; Tie-Yan Liu (NeurIPS, 2021)

Revisiting Language Encoding in Learning Multilingual Representations. - Shengjie Luo; Kaiyuan Gao; Shuxin Zheng; Guolin Ke; Di He 001; Liwei Wang 001; Tie-Yan Liu (CoRR, 2021)

Do Transformers Really Perform Bad for Graph Representation? - Chengxuan Ying; Tianle Cai; Shengjie Luo; Shuxin Zheng; Guolin Ke; Di He 001; Yanming Shen; Tie-Yan Liu (CoRR, 2021)

First Place Solution of KDD Cup 2021 & OGB Large-Scale Challenge Graph Prediction Track. - Chengxuan Ying; Mingqi Yang; Shuxin Zheng; Guolin Ke; Shengjie Luo; Tianle Cai; Chenglin Wu; Yuxin Wang; Yanming Shen; Di He 001 (CoRR, 2021)

Your Transformer May Not be as Powerful as You Expect. - Shengjie Luo; Shanda Li; Shuxin Zheng; Tie-Yan Liu; Liwei Wang 001; Di He 001 (NeurIPS, 2022)

Benchmarking Graphormer on Large-Scale Molecular Modeling Datasets. - Yu Shi; Shuxin Zheng; Guolin Ke; Yifei Shen; Jiacheng You; Jiyan He; Shengjie Luo; Chang Liu 030; Di He 001; Tie-Yan Liu (CoRR, 2022)

Salient-VPR: Salient Weighted Global Descriptor for Visual Place Recognition. - Ke Wang 017; Shengjie Luo; Tao Chen; Jianbo Lu (IEEE Trans. Instrum. Meas., 2022)

One Transformer Can Understand Both 2D & 3D Molecular Data. - Shengjie Luo; Tianlang Chen; Yixian Xu; Shuxin Zheng; Tie-Yan Liu; Liwei Wang 001; Di He 001 (ICLR, 2023)

Rethinking the Expressive Power of GNNs via Graph Biconnectivity. - Bohang Zhang; Shengjie Luo; Liwei Wang 001; Di He 001 (ICLR, 2023)

Mix MSTAR: A Synthetic Benchmark Dataset for Multi-Class Rotation Vehicle Detection in Large-Scale SAR Images. - Zhigang Liu; Shengjie Luo; Yiting Wang (Remote. Sens., 2023)

Learning a Fourier Transform for Linear Relative Positional Encodings in Transformers. - Krzysztof Choromanski; Shanda Li; Valerii Likhosherstov; Kumar Avinava Dubey; Shengjie Luo; Di He 001; Yiming Yang; Tamás Sarlós; Thomas Weingarten; Adrian Weller (AISTATS, 2024)

Enabling Efficient Equivariant Operations in the Fourier Basis via Gaunt Tensor Products. - Shengjie Luo; Tianlang Chen; Aditi S. Krishnapriyan (ICLR, 2024)

Two Stones Hit One Bird: Bilevel Positional Encoding for Better Length Extrapolation. - Zhenyu He 012; Guhao Feng; Shengjie Luo; Kai Yang; Liwei Wang 001; Jingjing Xu; Zhi Zhang 005; Hongxia Yang; Di He 001 (ICML, 2024)

GeoMFormer: A General Architecture for Geometric Molecular Representation Learning. - Tianlang Chen; Shengjie Luo; Di He 001; Shuxin Zheng; Tie-Yan Liu; Liwei Wang 001 (ICML, 2024)

Bridging Geometric States via Geometric Diffusion Bridge. - Shengjie Luo; Yixian Xu; Di He 001; Shuxin Zheng; Tie-Yan Liu; Liwei Wang 001 (NeurIPS, 2024)

Physical Consistency Bridges Heterogeneous Data in Molecular Multi-Task Learning. - Yuxuan Ren; Dihan Zheng; Chang Liu 030; Peiran Jin; Yu Shi; Lin Huang; Jiyan He; Shengjie Luo; Tao Qin 001; Tie-Yan Liu (NeurIPS, 2024)

How Numerical Precision Affects Mathematical Reasoning Capabilities of LLMs. - Guhao Feng; Kai Yang; Yuntian Gu; Xinyue Ai; Shengjie Luo; Jiacheng Sun; Di He 001; Zhenguo Li; Liwei Wang 001 (CoRR, 2024)

How Numerical Precision Affects Arithmetical Reasoning Capabilities of LLMs. - Guhao Feng; Kai Yang; Yuntian Gu; Xinyue Ai; Shengjie Luo; Jiacheng Sun; Di He 001; Zhenguo Li; Liwei Wang 001 (ACL (Findings), 2025)

Let the Code LLM Edit Itself When You Edit the Code. - Zhenyu He 012; Jun Zhang; Shengjie Luo; Jingjing Xu; Zhi Zhang 005; Di He 001 (ICLR, 2025)

An improved Tikhonov regularization method combined with the exponential filter function. - Xiaoniu Zeng; Tianyou Liu; Xiaofeng Tan; Hongru Li; Shengjie Luo (J. Comput. Methods Sci. Eng., 2025)

UniSite: The First Cross-Structure Dataset and Learning Framework for End-to-End Ligand Binding Site Detection. - Jigang Fan; Quanlin Wu; Shengjie Luo; Liwei Wang (CoRR, 2025)

Diagnosing and Improving Diffusion Models by Estimating the Optimal Loss Value. - Yixian Xu; Shengjie Luo; Liwei Wang 001; Di He 001; Chang Liu 030 (CoRR, 2025)