Lixue Cheng

According to our database, Lixue Cheng authored at least 16 papers between 2019 and 2026.

Collaborative distances:

• Dijkstra number of four.
• Erdős number of four.

2026

A Survey of Neural Network Variational Monte Carlo from a Computing Workload Characterization Perspective.

Zhengze Xiao, Xuanzhe Ding, Yuyang Lou, Lixue Cheng, Chaojian Li

CoRR, March, 2026

Scalable Machine Learning Force Fields for Macromolecular Systems Through Long-Range Aware Message Passing.

Chu Wang, Lin Huang, Xinran Wei, Tao Qin, Arthur Jiang, Lixue Cheng, Jia Zhang

CoRR, January, 2026

2025

Evaluating Large Language Models in Scientific Discovery.

Zhangde Song, Jieyu Lu, Yuanqi Du, Botao Yu, Thomas M. Pruyn, Yue Huang, Kehan Guo, Xiuzhe Luo, Yuanhao Qu, Yi Qu, Yinkai Wang, Haorui Wang, Jeff Guo, Jingru Gan, Parshin Shojaee, Di Luo, Andres M. Bran, Gen Li, Qiyuan Zhao, Shao-Xiong Lennon Luo, Yuxuan Zhang, Xiang Zou, Wanru Zhao, Yifan F. Zhang, Wucheng Zhang, Shunan Zheng, Saiyang Zhang, Sartaaj Takrim Khan, Mahyar Rajabi Kochi, Samantha Paradi-Maropakis, Tony Baltoiu, Fengyu Xie, Tianyang Chen, Kexin Huang, Weiliang Luo, Meijing Fang, Xin Yang, Lixue Cheng, Jiajun He, Soha Hassoun, Xiangliang Zhang, Wei Wang, Chandan K. Reddy, Chao Zhang, Zhiling Zheng, Mengdi Wang, Le Cong, Carla P. Gomes, Chang-Yu Hsieh, Aditya Nandy, Philippe Schwaller, Heather J. Kulik, Haojun Jia, Huan Sun, Seyed Mohamad Moosavi, Chenru Duan

CoRR, December, 2025

An ab initio foundation model of wavefunctions that accurately describes chemical bond breaking.

Adam Foster, Zeno Schätzle, P. Bernát Szabó, Lixue Cheng, Jonas Köhler, Gino Cassella, Nicholas Gao, Jiawei Li, Frank Noé, Jan Hermann

CoRR, June, 2025

Stabilizer ground states for simulating quantum many-body physics: theory, algorithms, and applications.

Jiace Sun, Lixue Cheng, Shi-Xin Zhang

Quantum, 2025

2024

Highly Accurate Real-space Electron Densities with Neural Networks.

Lixue Cheng, P. Bernát Szabó, Zeno Schätzle, Derk P. Kooi, Jonas Köhler, Klaas J. H. Giesbertz, Frank Noé, Jan Hermann, Paola Gori-Giorgi, Adam Foster

CoRR, 2024

2023

Error-mitigated Quantum Approximate Optimization via Learning-based Adaptive Optimization.

Lixue Cheng, Yu-Qin Chen, Shi-Xin Zhang, Shengyu Zhang

CoRR, 2023

2022

Molecular-orbital-based Machine Learning for Open-shell and Multi-reference Systems with Kernel Addition Gaussian Process Regression.

Lixue Cheng, Jiace Sun, J. Emiliano Deustua, Vignesh C. Bhethanabotla, Thomas F. Miller III

CoRR, 2022

Molecular Dipole Moment Learning via Rotationally Equivariant Gaussian Process Regression with Derivatives in Molecular-orbital-based Machine Learning.

Jiace Sun, Lixue Cheng, Thomas F. Miller III

CoRR, 2022

ODBO: Bayesian Optimization with Search Space Prescreening for Directed Protein Evolution.

Lixue Cheng, Ziyi Yang, Benben Liao, Chang-Yu Hsieh, Shengyu Zhang

CoRR, 2022

Accurate Molecular-Orbital-Based Machine Learning Energies via Unsupervised Clustering of Chemical Space.

Lixue Cheng, Jiace Sun, Thomas F. Miller III

CoRR, 2022

2021

Molecular Energy Learning Using Alternative Blackbox Matrix-Matrix Multiplication Algorithm for Exact Gaussian Process.

Jiace Sun, Lixue Cheng, Thomas F. Miller III

CoRR, 2021

Object Bounding Box-Aware Embedding for Point Cloud Instance Segmentation.

Lixue Cheng, Taihai Yang, Lizhuang Ma

Proceedings of the PRICAI 2021: Trends in Artificial Intelligence, 2021

Framework Design and Application of Enterprise Intranet Automation Operation and Maintenance.

Zhiwen Chen, Guihua Wang, Lixue Cheng

Proceedings of the EITCE 2021: 5th International Conference on Electronic Information Technology and Computer Engineering, Xiamen, China, October 22, 2021

2019

Regression-clustering for Improved Accuracy and Training Cost with Molecular-Orbital-Based Machine Learning.

Lixue Cheng, Nikola B. Kovachki, Matthew Welborn, Thomas F. Miller III

CoRR, 2019

A Universal Density Matrix Functional from Molecular Orbital-Based Machine Learning: Transferability across Organic Molecules.

Lixue Cheng, Matthew Welborn, Thomas F. Miller III

CoRR, 2019