Author

Taoyong Cui

Observed name: Cui, Taoyong

Institutions: Chinese University of Hong Kong, Stanford Medicine, Center for Life Sciences, Shanghai Artificial Intelligence Laboratory, State Key Laboratory of Membrane Biology, Stanford University, Tsinghua University

Observed institutions: Broad Institute, Chinese University of Hong Kong, Stanford Medicine, Center for Life Sciences, Shanghai Artificial Intelligence Laboratory, State Key Laboratory of Membrane Biology, Tsinghua Shenzhen International Graduate School, Praxis Precision Medicines Inc. (United States), University of Hong Kong, Stanford University, Tsinghua University

ORCID: 0000-0002-5532-6636

Observed ORCID: 0000-0002-5532-6636

OpenAlex ID: A5041810936

Geometry-enhanced pretraining on interatomic potentials

2024 · Taoyong Cui, Chenyu Tang, et al. · Nature Machine Intelligence · 24

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Harnessing Machine Learning to Enhance Transition State Search with Interatomic Potentials and Generative Models

2025 · Qiyuan Zhao, Yunhong Han, et al. · Advanced Science · 16

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Recent advances in artificial intelligence–driven biomolecular dynamics simulations based on machine learning force fields

2025 · Taoyong Cui, Yutao Zhou, et al. · Current Opinion in Structural Biology · 13

Online test-time adaptation for better generalization of interatomic potentials to out-of-distribution data

2025 · Taoyong Cui, Chenyu Tang, et al. · Nature Communications · 12

Evidential deep learning for interatomic potentials

2025 · Han Xu, Taoyong Cui, et al. · Nature Communications · 5

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Enhancing non-local interaction modeling for ab initio biomolecular calculations and simulations with ViSNet-PIMA

2026 · Taoyong Cui, Zihan Wang, et al. · bioRxiv (Cold Spring Harbor Laboratory) · 2

Contrastive Learning for Low-Light Raw Denoising (Student Abstract)

2024 · Taoyong Cui, Yuhan Dong · Proceedings of the AAAI Conference on Artificial Intelligence · 2

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TAOTF: A Two-Stage Approximately Orthogonal Training Framework in Deep Neural Networks

2023 · Taoyong Cui, Jianze Li, et al. · Frontiers in artificial intelligence and applications · 2

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HORM: A Large Scale Molecular Hessian Database for Optimizing Reactive Machine Learning Interatomic Potentials

2025 · Cui, Taoyong, Han, Yunhong, et al. · arXiv (Cornell University) · 1

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MSGNN: Masked Schema based Graph Neural Networks

2024 · Hao Liu, Qianwen Yang, et al. · Proceedings of the VLDB Endowment · 1

Simple Orthogonal Graph Representation Learning (Student Abstract)

2024 · Taoyong Cui, Yuhan Dong · Proceedings of the AAAI Conference on Artificial Intelligence · 1

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Contrastive Learning for Low-light Raw Denoising

2023 · Cui, Taoyong, Dong, Yuhan · arXiv (Cornell University) · 1

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Generative discovery of chemical reaction networks

2026 · Han, Yunhong, Ren, Gaopeng, et al. · arXiv (Cornell University)

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RSI-Anything: Unlocking Recursive Self-Improvement with World Models

2026 · Cui, Taoyong, Zeng, Pinxian, et al. · arXiv (Cornell University)

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JEPA-Anything: Learning Predictive Models across Different Worlds

2026 · Cui, Taoyong, Wang, Zhongyao, et al. · arXiv (Cornell University)

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An immune world model for multiscale forecasting and therapeutic hypothesis generation

2026 · Cui, Taoyong, Wang, Xi, et al. · arXiv (Cornell University)

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InstructPLM-mu: protein fitness prediction from structure instructions

2026 · Junde Xu, Yapin Shi, et al. · Briefings in Bioinformatics

Orthogonal JEPA: Factorized Predictive States for Latent World Models

2026 · Cui, Taoyong, Heng, Pheng Ann, et al. · arXiv (Cornell University)

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Support Operation Factorization: Compositional Readout of Frozen Vision Encoders under Controlled Interventions

2026 · Wang, Zhongyao, Ouyang, Wanli, et al. · arXiv (Cornell University)

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An SO(3)-equivariant reciprocal space neural potential for long-range interactions

2026 · Taoyong Cui, Lingfeng Zhang, et al. · Research Square

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Deep Research in Physical Sciences: A Multi-Agent Framework and Comprehensive Benchmark

2026 · Jiang, Yigeng, Yang, Tengchao, et al. · arXiv (Cornell University)

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GALILEO: Embodied AI scientist for autonomous therapeutic discovery in dynamic membrane systems

2026 · Nan Jiang, Rongyuan Wei, et al. · bioRxiv (Cold Spring Harbor Laboratory)

Alternative splicing expands and remodels the breast cancer proteoform landscape

2026 · Felicia T. Jiang, Dengwang Chen, et al. · bioRxiv (Cold Spring Harbor Laboratory)

EvoRMD: integrating biological context and evolutionary RNA language models for interpretable prediction of RNA modifications

2026 · Bo Wang, Hao Zhang, et al. · Genome biology

Structure-aware protein function prediction at isoform resolution

2026 · Felicia T. Jiang, Runhao Zhao, et al. · bioRxiv (Cold Spring Harbor Laboratory)

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Works count: 35

Citation count: 80

H-index: 5

I10-index: 4