Publications – Yimeng Min

Conference Papers

Yimeng Min, Carla P. Gomes. “Learning Unbiased Permutations via Flow Matching,” NeurIPS, 2026.
Yimeng Min^*, Yiwei Bai^*, Carla P. Gomes. “Unsupervised Learning for Solving the Travelling Salesman Problem,” NeurIPS, 2023.
Yimeng Min^*, Ming-Chiang Chang^*, Shufeng Kong, John M. Gregoire, R. Bruce van Dover, Michael O. Thompson, Carla P. Gomes. “Physically Informed Graph-Based Deep Reasoning Net for Efficient Combinatorial Phase Mapping,” International Conference on Machine Learning and Applications (ICMLA), 2023.
Yimeng Min^*, Frederik Wenkel^*, Michael Perlmutter, Guy Wolf. “Can Hybrid Geometric Scattering Networks Help Solve the Maximum Clique Problem?” NeurIPS, 2022.
Yimeng Min^*, Frederik Wenkel^*, Guy Wolf. “Geometric Scattering Attention Networks,” IEEE International Conference on Acoustics, Speech and Signal Processing (ICASSP), 2021.
Yimeng Min^*, Frederik Wenkel^*, Guy Wolf. “Scattering GCN: Overcoming Oversmoothness in Graph Convolutional Networks,” NeurIPS, 2020.

Journal Articles

Yunzhou Wen, Peining Chen, Lu Wang, Shangyu Li, Ziyun Wang, Jehad Abed, Xinnan Mao, Yimeng Min, Cao Thang Dinh, Phil De Luna, Rui Huang, Longsheng Zhang, Lie Wang, Liping Wang, Robert J. Nielsen, Huihui Li, Taotao Zhuang, Changchun Ke, Oleksandr Voznyy, Yongfeng Hu, Youyong Li, William A. Goddard III, Bo Zhang, Huisheng Peng, Edward H. Sargent. “Stabilizing Highly Active Ru Sites by Suppressing Lattice Oxygen Participation in Acidic Water Oxidation,” Journal of the American Chemical Society, 2021.
Shun-Chang Liu, Chen-Min Dai, Yimeng Min, Yi Hou, Andrew H. Proppe, Ying Zhou, Chao Chen, Shiyou Chen, Jiang Tang, Ding-Jiang Xue, Edward H. Sargent, Jin-Song Hu. “An Antibonding Valence Band Maximum Enables Defect-Tolerant and Stable GeSe Photovoltaics,” Nature Communications, 2021.
Miao Zhong^*, Kevin Tran^*, Yimeng Min^*, Chuanhao Wang^*, et al. “Accelerated Discovery of CO₂ Electrocatalysts Using Active Machine Learning,” Nature, 2020.
Xue Wang, Ziyun Wang, F. Pelayo García de Arquer, et al. (including Yimeng Min). “Efficient Electrically Powered CO₂-to-Ethanol via Suppression of Deoxygenation,” Nature Energy, 2020.
Yuan Gao, Grant Walters, Ying Qin, Bin Chen, Yimeng Min, Ali Seifitokaldani, Bin Sun, Petar Todorovic, Makhsud I. Saidaminov, Alan Lough, Sefaattin Tongay, Sjoerd Hoogland, Edward H. Sargent. “Electro-Optic Modulation in Hybrid Metal Halide Perovskites,” Advanced Materials, 2019.
Tao-Tao Zhuang, Zhi-Qin Liang, Ali Seifitokaldani, Yi Li, Phil De Luna, Thomas Burdyny, Fanglin Che, Fei Meng, Yimeng Min, Rafael Quintero-Bermudez, Cao Thang Dinh, Yuanjie Pang, Miao Zhong, Bo Zhang, Jun Li, Pei-Ning Chen, Xue-Li Zheng, Hongyan Liang, Wen-Na Ge, Bang-Jiao Ye, David Sinton, Shu-Hong Yu, Edward H. Sargent. “Steering Post-C–C Coupling Selectivity Enables High Efficiency Electroreduction of Carbon Dioxide to Multi-Carbon Alcohols,” Nature Catalysis, 2018.

Workshop Papers

Yimeng Min, Carla P. Gomes. “Structure As Search: Unsupervised Permutation Learning for Combinatorial Optimization,” New Perspectives in Graph Machine Learning workshop at NeurIPS, 2025.
Pranav Kakhandiki, Yimeng Min, Ankit S. Disa. “Epitaxial Thin Film Interface Imaging with Deep Learning,” AI for Accelerated Materials Design Workshop, NeurIPS, 2024.
Yimeng Min, Carla P. Gomes. “On Size and Hardness Generalization in Unsupervised Learning for the Travelling Salesman Problem,” Data Science Meets Optimisation Workshop, IJCAI, 2024.
Yimeng Min, Eliot T Miller, Daniel Fink, Carla P. Gomes. “Joint Time–Frequency Scattering-Enhanced Representation for Bird Vocalization Classification,” Computational Sustainability Workshop at NeurIPS, 2023.
Yimeng Min, Carla P. Gomes. “Unsupervised Learning Permutations for TSP using Gumbel-Sinkhorn Operator,” Optimal Transport and Machine Learning Workshop, NeurIPS, 2023.
Yimeng Min, S. Karthik Mukkavilli, Yoshua Bengio. “Predicting Ice Flow using Machine Learning,” Workshop on Tackling Climate Change with Machine Learning, NeurIPS, 2019.

Preprints

Yimeng Min, Carla P. Gomes. “Divergence-Suppressing Couplings for Rectified Flow,” arXiv, 2026.
Yimeng Min, Carla P. Gomes. “Graph Neural Networks are Heuristics,” arXiv, 2026.
Yimeng Min, Carla P. Gomes. “Unsupervised Ordering for Maximum Clique,” arXiv, 2025.
Yimeng Min, Carla P. Gomes. “Unsupervised Learning for Quadratic Assignment,” arXiv, 2025.
Frederik Wenkel, Yimeng Min, Matthew Hirn, Michael Perlmutter, Guy Wolf. “Overcoming Oversmoothness in Graph Convolutional Networks via Hybrid Scattering Networks,” Preprint, 2022.

^*Equal contribution