| 2025 | ICLR | Unify ML4TSP: Drawing Methodological Principles for TSP and Beyond from Streamlined Design Space of Learning and Search. | Yang Li, Jiale Ma, Wenzheng Pan, Runzhong Wang, Haoyu Geng, Nianzu Yang, Junchi Yan |
| 2025 | ICML | DSBRouter: End-to-end Global Routing via Diffusion Schr\"{o}dinger Bridge. | Liangliang Shi, Shenhui Zhang, Xingbo Du, Nianzu Yang, Junchi Yan |
| 2024 | ICLR | Towards LLM4QPE: Unsupervised Pretraining of Quantum Property Estimation and A Benchmark. | Yehui Tang, Hao Xiong, Nianzu Yang, Tailong Xiao, Junchi Yan |
| 2024 | ICLR | EBMDock: Neural Probabilistic Protein-Protein Docking via a Differentiable Energy Model. | Huaijin Wu, Wei Liu, Yatao Bian, Jiaxiang Wu, Nianzu Yang, Junchi Yan |
| 2024 | ICML | SSL4Q: Semi-Supervised Learning of Quantum Data with Application to Quantum State Classification. | Yehui Tang, Nianzu Yang, Mabiao Long, Junchi Yan |
| 2024 | ICML | MorphGrower: A Synchronized Layer-by-layer Growing Approach for Plausible Neuronal Morphology Generation. | Nianzu Yang, Kaipeng Zeng, Haotian Lu, Yexin Wu, Zexin Yuan, Danni Chen, Shengdian Jiang, Jiaxiang Wu, Yimin Wang, Junchi Yan |
| 2023 | WWW | MoleRec: Combinatorial Drug Recommendation with Substructure-Aware Molecular Representation Learning. | Nianzu Yang, Kaipeng Zeng, Qitian Wu, Junchi Yan |
| 2021 | ICML | Learning Self-Modulating Attention in Continuous Time Space with Applications to Sequential Recommendation. | Chao Chen, Haoyu Geng, Nianzu Yang, Junchi Yan, Daiyue Xue, Jianping Yu, Xiaokang Yang |