Minkai Xu
- GeoDiff: a Geometric Diffusion Model for Molecular Conformation Generation
2022/03/06 by Minkai Xu, Lantao Yu, Xu, Minkai +9 · 1 voice · 63 citations
Biochemistry, Genetics and Molecular Biology · Computer Science · Materials Science · #Computational Drug Discovery Methods #Machine Learning in Materials Science #Protein Structure and Dynamics #cs.LG #q-bio.QM
- Mastering Text-to-Image Diffusion: Recaptioning, Planning, and Generating with Multimodal LLMs
2024/01/22 by Ling Yang, Yang, Ling, Zhaochen Yu +9 · 1 voice · 43 citations
Computer Science · #Generative Adversarial Networks and Image Synthesis #Multimodal Machine Learning Applications #cs.AI #cs.CV #cs.LG
- Artificial Intelligence for Science in Quantum, Atomistic, and Continuum Systems
2023/07/17 by Xuan Zhang, Limei Wang, Zhang, Xuan +123 · 1 voice · 22 citations
#cs.LG #physics.comp-ph
- Consistency Flow Matching: Defining Straight Flows with Velocity Consistency
2024/07/02 by Ling Yang, Yang, Ling, Zixiang Zhang +15 · 30 citations
Computer Science · #Artificial Intelligence in Games #Computer Vision and Pattern Recognition (cs.CV) #FOS: Computer and information sciences #Reinforcement Learning in Robotics #Time Series Analysis and Forecasting
- Learning Gradient Fields for Molecular Conformation Generation
2021/05/09 by Chence Shi, Shitong Luo, Shi, Chence +5 · 13 citations
Materials Science · Biochemistry, Genetics and Molecular Biology · Chemistry · #Machine Learning in Materials Science #Protein Structure and Dynamics #Mass Spectrometry Techniques and Applications
- Buffer of Thoughts: Thought-Augmented Reasoning with Large Language Models
2024/06/06 by Ling Yang, Zhaochen Yu, Yang, Ling +13 · 22 citations
Computer Science · #Computation and Language (cs.CL) #FOS: Computer and information sciences #Topic Modeling
- TFG: Unified Training-Free Guidance for Diffusion Models
2024/09/24 by Haotian Ye, Haowei Lin, Ye, Haotian +15 · 21 citations
Engineering · Physics and Astronomy · #Artificial Intelligence (cs.AI) #FOS: Computer and information sciences #Machine Learning (cs.LG) #Model Reduction and Neural Networks #Nuclear reactor physics and engineering
- A Graph to Graphs Framework for Retrosynthesis Prediction
2020/03/28 by Chence Shi, Shi, Chence, Minkai Xu +7 · 8 citations
Computer Science · #Advanced Graph Neural Networks #FOS: Computer and information sciences #Graph Theory and Algorithms #Machine Learning (cs.LG) #Machine Learning (stat.ML) #Topic Modeling
- An End-to-End Framework for Molecular Conformation Generation via\n Bilevel Programming
2021/01/01 by Minkai Xu, Wujie Wang, Xu, Minkai +11 · 6 citations
Chemistry · Computer Science · Engineering · Materials Science · Mathematics · #Advanced Optimization Algorithms Research #Biomolecules (q-bio.BM) #Computational Drug Discovery Methods #FOS: Biological sciences #FOS: Computer and information sciences #Machine Learning (cs.LG) #Machine Learning in Materials Science #Mathematical Biology Tumor Growth #Metal-Organic Frameworks: Synthesis and Applications #Process Optimization and Integration
- RealCompo: Balancing Realism and Compositionality Improves Text-to-Image Diffusion Models
2024/02/20 by Xinchen Zhang, Zhang, Xinchen, Ling Yang +18 · 10 citations
Computer Science · #Image Retrieval and Classification Techniques
- Learning Neural Generative Dynamics for Molecular Conformation Generation
2021/02/20 by Minkai Xu, Xu, Minkai, Shitong Luo +7 · 5 citations
Biochemistry, Genetics and Molecular Biology · Computer Science · Materials Science · #Chemical Physics (physics.chem-ph) #Computational Drug Discovery Methods #FOS: Computer and information sciences #FOS: Physical sciences #Machine Learning (cs.LG) #Machine Learning in Materials Science #Protein Structure and Dynamics
- MUDiff: Unified Diffusion for Complete Molecule Generation
2023/04/28 by Chenqing Hua, Hua, Chenqing, Sitao Luan +11 · 7 citations
Materials Science · Computer Science · Biochemistry, Genetics and Molecular Biology · #Machine Learning in Materials Science #Computational Drug Discovery Methods #Protein Structure and Dynamics
- The Heterophilic Graph Learning Handbook: Benchmarks, Models, Theoretical Analysis, Applications and Challenges
2024/07/12 by Sitao Luan, Luan, Sitao, Chenqing Hua +25 · 1 voice · 8 citations
Computer Science · #Advanced Graph Neural Networks #FOS: Computer and information sciences #Machine Learning (cs.LG) #Social and Information Networks (cs.SI) #cs.LG #cs.SI
- SuperCorrect: Advancing Small LLM Reasoning with Thought Template Distillation and Self-Correction
2024/10/11 by Ling Yang, Yang, Ling, Zhaochen Yu +11 · 11 citations
Computer Science · #Computation and Language (cs.CL) #FOS: Computer and information sciences #Natural Language Processing Techniques #Topic Modeling
- Aligning Target-Aware Molecule Diffusion Models with Exact Energy Optimization
2024/07/01 by Siyi Gu, Minkai Xu, Gu, Siyi +15 · 6 citations
Computer Science · Materials Science · Medicine · #Biomolecules (q-bio.BM) #Computational Drug Discovery Methods #FOS: Biological sciences #FOS: Computer and information sciences #Machine Learning (cs.LG) #Machine Learning in Materials Science #Quantitative Methods (q-bio.QM) #Radiopharmaceutical Chemistry and Applications
- Scaling Riemannian Diffusion Models
2023/10/30 by Aaron Lou, Minkai Xu, Lou, Aaron +3 · 3 citations
Computer Science · Medicine · #Machine Learning in Healthcare #Generative Adversarial Networks and Image Synthesis #Advanced Neuroimaging Techniques and Applications
- Geometric Trajectory Diffusion Models
2024/10/16 by Jiaqi Han, Han, Jiaqi, Minkai Xu +7 · 7 citations
Decision Sciences · Engineering · #Computer Vision and Pattern Recognition (cs.CV) #FOS: Computer and information sciences #Machine Learning (cs.LG) #Simulation Techniques and Applications #Traffic Prediction and Management Techniques #Vehicle Dynamics and Control Systems
- Trans4D: Realistic Geometry-Aware Transition for Compositional Text-to-4D Synthesis
2024/10/09 by Bohan Zeng, Zeng, Bohan, Ling Yang +20 · 4 citations
Engineering · #Computer Vision and Pattern Recognition (cs.CV) #FOS: Computer and information sciences #Modular Robots and Swarm Intelligence
- Energy-Based Imitation Learning
2020/04/20 by Minghuan Liu, Liu, Minghuan, Tairan He +5 · 3 citations
Computer Science · #Reinforcement Learning in Robotics #Adversarial Robustness in Machine Learning #Anomaly Detection Techniques and Applications
- Contextualized Diffusion Models for Text-Guided Image and Video Generation
2024/02/26 by Ling Yang, Zhilong Zhang, Yang, Ling +11 · 2 citations
Arts and Humanities · Engineering · #Digital Humanities and Scholarship #Human Motion and Animation #3D Modeling in Geospatial Applications
- Infomax Neural Joint Source-Channel Coding via Adversarial Bit Flip
2020/04/03 by Yuxuan Song, Minkai Xu, Song, Yuxuan +9 · 1 citation
Computer Science · #Digital Media Forensic Detection #FOS: Computer and information sciences #Machine Learning (cs.LG) #Machine Learning (stat.ML) #Speech and Audio Processing #Wireless Signal Modulation Classification
- Discrete Diffusion Trajectory Alignment via Stepwise Decomposition
2025/07/07 by Jiaqi Han, Han, Jiaqi, Austin Wang +11 · 4 citations
Engineering · #Advanced Numerical Analysis Techniques #FOS: Computer and information sciences #Machine Learning (cs.LG)
- Lyapunov Guidance: A Unified Framework for Stabilizing Generative Flows
2026/07/15 by Jingdong Zhang, Xinze Li, Yize Jiang +3
#cs.LG #math.DS #math.OC