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Ji, Shuiwang

  1. Graph U-Nets
    2019/05/11 by Hongyang Gao, Gao, Hongyang, Shuiwang Ji +1 · 28 citations
    Computer Science · Neuroscience · #Advanced Graph Neural Networks #Brain Tumor Detection and Classification #FOS: Computer and information sciences #Machine Learning (cs.LG) #Machine Learning (stat.ML) #Stochastic Gradient Optimization Techniques
  2. Explainability in Graph Neural Networks: A Taxonomic Survey
    2020/12/31 by Hao Yuan, Yuan, Hao, Haiyang Yu +5 · 30 citations
    Computer Science · #Advanced Graph Neural Networks #Explainable Artificial Intelligence (XAI) #Machine Learning in Healthcare
  3. On Explainability of Graph Neural Networks via Subgraph Explorations
    2021/02/09 by Hao Yuan, Haiyang Yu, Yuan, Hao +7 · 29 citations
    Computer Science · #Advanced Graph Neural Networks #Adversarial Robustness in Machine Learning #Artificial Intelligence (cs.AI) #Explainable Artificial Intelligence (XAI) #FOS: Computer and information sciences #Machine Learning (cs.LG)
  4. TrustLLM: Trustworthiness in Large Language Models
    2024/01/01 by Yue Huang, Huang, Yue, Lichao Sun +136 · 39 citations
    Medicine · Computer Science · #Artificial Intelligence in Healthcare and Education #Privacy-Preserving Technologies in Data #Explainable Artificial Intelligence (XAI)
  5. GraphDF: A Discrete Flow Model for Molecular Graph Generation
    2021/02/01 by Youzhi Luo, Keqiang Yan, Luo, Youzhi +3 · 20 citations
    Materials Science · Computer Science · #Machine Learning in Materials Science #Advanced Graph Neural Networks #Computational Drug Discovery Methods
  6. 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
  7. Derivative-Free Guidance in Continuous and Discrete Diffusion Models with Soft Value-Based Decoding
    2024/08/15 by Xiner Li, Li, Xiner, Yulai Zhao +18 · 36 citations
    Engineering · Mathematics · #Artificial Intelligence (cs.AI) #Computational Fluid Dynamics and Aerodynamics #FOS: Biological sciences #FOS: Computer and information sciences #Gas Dynamics and Kinetic Theory #Genomics (q-bio.GN) #Guidance and Control Systems #Machine Learning (cs.LG) #Machine Learning (stat.ML)
  8. Spherical Message Passing for 3D Graph Networks
    2021/02/09 by Yi Liu, Liu, Yi, Limei Wang +9 · 18 citations
    Computer Science · Physics and Astronomy · #Advanced Graph Neural Networks #Complex Network Analysis Techniques #FOS: Computer and information sciences #Graph Theory and Algorithms #Machine Learning (cs.LG)
  9. A Comprehensive Survey of Scientific Large Language Models and Their Applications in Scientific Discovery
    2024/06/16 by Yu Zhang, Zhang, Yu, Xiusi Chen +10 · 30 citations
    Computer Science · #Computation and Language (cs.CL) #FOS: Computer and information sciences #Topic Modeling
  10. Generating 3D Molecules for Target Protein Binding
    2022/04/19 by Meng Liu, Liu, Meng, Youzhi Luo +7 · 16 citations
    Biochemistry, Genetics and Molecular Biology · Computer Science · Materials Science · #Artificial Intelligence (cs.AI) #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 #Protein Structure and Dynamics
  11. Periodic Graph Transformers for Crystal Material Property Prediction
    2022/09/23 by Keqiang Yan, Yi Liu, Yan, Keqiang +5 · 16 citations
    Materials Science · #Machine Learning in Materials Science #X-ray Diffraction in Crystallography
  12. Self-Supervised Learning of Graph Neural Networks: A Unified Review
    2021/02/22 by Yaochen Xie, Xie, Yaochen, Xu Zhao +7 · 11 citations
    Computer Science · #Advanced Graph Neural Networks #FOS: Computer and information sciences #Machine Learning (cs.LG) #Text and Document Classification Technologies #Topic Modeling
  13. GOOD: A Graph Out-of-Distribution Benchmark
    2022/06/16 by Shurui Gui, Xiner Li, Gui, Shurui +5 · 12 citations
    Computer Science · Environmental Science · Health Professions · #Advanced Graph Neural Networks #Artificial Intelligence (cs.AI) #Artificial Intelligence in Healthcare #Energy and Environment Impacts #FOS: Computer and information sciences #Machine Learning (cs.LG)
  14. Line Graph Neural Networks for Link Prediction
    2020/10/20 by Cai, Lei, Li, Jundong, Wang, Jie +1 · 9 citations
    #FOS: Computer and information sciences #Machine Learning (cs.LG)
  15. Eliminating Position Bias of Language Models: A Mechanistic Approach
    2024/07/01 by Ziqi Wang, Hanlin Zhang, Wang, Ziqi +15 · 20 citations
    Computer Science · #Computation and Language (cs.CL) #FOS: Computer and information sciences #Machine Learning (cs.LG) #Natural Language Processing Techniques #Speech and dialogue systems #Topic Modeling
  16. Efficient and Equivariant Graph Networks for Predicting Quantum Hamiltonian
    2023/06/08 by Haiyang Yu, Xu Zhao, Yu, Haiyang +7 · 12 citations
    Materials Science · Biochemistry, Genetics and Molecular Biology · Physics and Astronomy · #Machine Learning in Materials Science #Protein Structure and Dynamics #Advanced Chemical Physics Studies
  17. ComENet: Towards Complete and Efficient Message Passing for 3D Molecular Graphs
    2022/06/17 by Limei Wang, Wang, Limei, Yi Liu +7 · 10 citations
    Computer Science · Engineering · Materials Science · #Advanced Graph Neural Networks #FOS: Computer and information sciences #Hydrocarbon exploration and reservoir analysis #Machine Learning (cs.LG) #Machine Learning in Materials Science
  18. Curriculum Reinforcement Learning from Easy to Hard Tasks Improves LLM Reasoning
    2025/06/07 by Parashar, Shubham, Gui, Shurui, Li, Xiner +8 · 32 citations
    #Artificial Intelligence (cs.AI) #Computation and Language (cs.CL) #FOS: Computer and information sciences #Machine Learning (cs.LG)
  19. Efficient Approximations of Complete Interatomic Potentials for Crystal Property Prediction
    2023/06/12 by Yuchao Lin, Lin, Yuchao, Keqiang Yan +9 · 9 citations
    Computer Science · Materials Science · #Chemical Physics (physics.chem-ph) #FOS: Computer and information sciences #FOS: Physical sciences #Machine Learning (cs.LG) #Machine Learning in Materials Science #Topic Modeling #X-ray Diffraction in Crystallography
  20. Complete and Efficient Graph Transformers for Crystal Material Property Prediction
    2024/03/18 by Keqiang Yan, Cong Fu, Yan, Keqiang +7 · 10 citations
    Materials Science · #Machine Learning in Materials Science #X-ray Diffraction in Crystallography
  21. FlowX: Towards Explainable Graph Neural Networks via Message Flows
    2022/06/26 by Shurui Gui, Gui, Shurui, Hao Yuan +9 · 6 citations
    Computer Science · #Advanced Graph Neural Networks #Explainable Artificial Intelligence (XAI)
  22. Learning Hierarchical Protein Representations via Complete 3D Graph Networks
    2022/07/26 by Limei Wang, Haoran Liu, Wang, Limei +7 · 6 citations
    Biochemistry, Genetics and Molecular Biology · #Bioinformatics and Genomic Networks #FOS: Biological sciences #FOS: Computer and information sciences #Machine Learning (cs.LG) #Machine Learning in Bioinformatics #Protein Structure and Dynamics #Quantitative Methods (q-bio.QM)
  23. A Latent Diffusion Model for Protein Structure Generation
    2023/05/06 by Cong Fu, Keqiang Yan, Fu, Cong +17 · 7 citations
    Biochemistry, Genetics and Molecular Biology · #Artificial Intelligence (cs.AI) #Biomolecules (q-bio.BM) #FOS: Biological sciences #FOS: Computer and information sciences #Machine Learning (cs.LG) #Protein Structure and Dynamics
  24. Noise2Same: Optimizing A Self-Supervised Bound for Image Denoising
    2020/10/22 by Yaochen Xie, Zhengyang Wang, Xie, Yaochen +3 · 5 citations
    Computer Science · Engineering · #Image and Signal Denoising Methods #Image Processing Techniques and Applications #Photoacoustic and Ultrasonic Imaging
  25. Self-Supervised Representation Learning via Latent Graph Prediction
    2022/02/16 by Xie, Yaochen, Xu, Zhao, Ji, Shuiwang · 5 citations
    #FOS: Computer and information sciences #Machine Learning (cs.LG)
  26. Molecule3D: A Benchmark for Predicting 3D Geometries from Molecular Graphs
    2021/09/30 by Xu, Zhao, Luo, Youzhi, Zhang, Xuan +7 · 5 citations
    #Artificial Intelligence (cs.AI) #FOS: Computer and information sciences #Machine Learning (cs.LG)
  27. Group Equivariant Fourier Neural Operators for Partial Differential Equations
    2023/06/09 by Jacob Helwig, Helwig, Jacob, Xuan Zhang +9 · 6 citations
    Computer Science · Materials Science · Physics and Astronomy · #FOS: Computer and information sciences #FOS: Mathematics #Machine Learning (cs.LG) #Magnetic Properties and Applications #Model Reduction and Neural Networks #Neural Networks and Applications #Numerical Analysis (math.NA)
  28. QH9: A Quantum Hamiltonian Prediction Benchmark for QM9 Molecules
    2023/06/15 by Haiyang Yu, Meng Liu, Yu, Haiyang +11 · 6 citations
    Biochemistry, Genetics and Molecular Biology · Computer Science · Materials Science · #Artificial Intelligence (cs.AI) #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
  29. Political-LLM: Large Language Models in Political Science
    2024/12/09 by Lincan Li, Li, Lincan, Jiaqi Li +89 · 12 citations
    Social Sciences · #Artificial Intelligence (cs.AI) #Computation and Language (cs.CL) #Computational and Text Analysis Methods #FOS: Computer and information sciences
  30. A new perspective on building efficient and expressive 3D equivariant graph neural networks
    2023/04/07 by Weitao Du, Yuanqi Du, Du, Weitao +13 · 5 citations
    Computer Science · Materials Science · #Advanced Graph Neural Networks #Artificial Intelligence (cs.AI) #FOS: Computer and information sciences #Graph Theory and Algorithms #Machine Learning (cs.LG) #Machine Learning in Materials Science
  31. Dynamic Search for Inference-Time Alignment in Diffusion Models
    2025/03/03 by Xiner Li, Li, Xiner, Masatoshi Uehara +13 · 15 citations
    Physics and Astronomy · #Model Reduction and Neural Networks
  32. ChannelNets: Compact and Efficient Convolutional Neural Networks via Channel-Wise Convolutions
    2018/09/05 by Hongyang Gao, Gao, Hongyang, Zhengyang Wang +3 · 6 citations
    Computer Science · #Advanced Neural Network Applications #Adversarial Robustness in Machine Learning #Domain Adaptation and Few-Shot Learning
  33. GraphEBM: Molecular Graph Generation with Energy-Based Models
    2021/01/31 by Liu, Meng, Yan, Keqiang, Oztekin, Bora +1 · 3 citations
    #FOS: Computer and information sciences #Machine Learning (cs.LG)
  34. DIG: A Turnkey Library for Diving into Graph Deep Learning Research
    2021/03/23 by Liu, Meng, Luo, Youzhi, Wang, Limei +13 · 3 citations
    #FOS: Computer and information sciences #Machine Learning (cs.LG)
  35. Adversarial Attacks and Defenses on Graphs: A Review, A Tool and Empirical Studies
    2020/03/02 by Wei Jin, Jin, Wei, Yaxin Li +11 · 7 citations
    Computer Science · Social Sciences · #Adversarial Robustness in Machine Learning #Advanced Graph Neural Networks #Ethics and Social Impacts of AI
  36. Towards Symmetry-Aware Generation of Periodic Materials
    2023/07/06 by Luo, Youzhi, Liu, Chengkai, Ji, Shuiwang · 4 citations
    #FOS: Computer and information sciences #FOS: Physical sciences #Machine Learning (cs.LG) #Materials Science (cond-mat.mtrl-sci)
  37. ConE: Cone Embeddings for Multi-Hop Reasoning over Knowledge Graphs
    2021/10/26 by Zhanqiu Zhang, Zhang, Zhanqiu, Jie Wang +7 · 3 citations
    Computer Science · #Advanced Graph Neural Networks #Artificial Intelligence (cs.AI) #Computation and Language (cs.CL) #FOS: Computer and information sciences #Multimodal Machine Learning Applications #Topic Modeling
  38. Duality-Induced Regularizer for Semantic Matching Knowledge Graph Embeddings
    2022/03/24 by Jie Wang, Zhanqiu Zhang, Wang, Jie +9 · 3 citations
    Computer Science · Decision Sciences · #Advanced Graph Neural Networks #Artificial Intelligence (cs.AI) #Computation and Language (cs.CL) #Data Quality and Management #FOS: Computer and information sciences #Topic Modeling
  39. DiffMS: Diffusion Generation of Molecules Conditioned on Mass Spectra
    2025/02/13 by Montgomery Bohde, Bohde, Montgomery, Mrunali Manjrekar +7 · 9 citations
    Biochemistry, Genetics and Molecular Biology · Chemistry · #Analytical Chemistry and Chromatography #FOS: Biological sciences #FOS: Computer and information sciences #Machine Learning (cs.LG) #Quantitative Methods (q-bio.QM) #Spectroscopy Techniques in Biomedical and Chemical Research #Spectroscopy and Chemometric Analyses
  40. Equivariance via Minimal Frame Averaging for More Symmetries and Efficiency
    2024/06/11 by Lin, Yuchao, Helwig, Jacob, Gui, Shurui +1 · 6 citations
    #FOS: Computer and information sciences #Machine Learning (cs.LG)
  41. Joint Learning of Label and Environment Causal Independence for Graph Out-of-Distribution Generalization
    2023/06/01 by Shurui Gui, Gui, Shurui, Meng Liu +7 · 3 citations
    Computer Science · #Advanced Graph Neural Networks #Artificial Intelligence (cs.AI) #Bayesian Modeling and Causal Inference #FOS: Computer and information sciences #Machine Learning (cs.LG) #Machine Learning and Data Classification
  42. Invariant Tokenization of Crystalline Materials for Language Model Enabled Generation
    2025/02/28 by Yan, Keqiang, Li, Xiner, Ling, Hongyi +8 · 8 citations
    #FOS: Computer and information sciences #FOS: Physical sciences #Machine Learning (cs.LG) #Materials Science (cond-mat.mtrl-sci)
  43. Machine Learning Explanations to Prevent Overtrust in Fake News Detection
    2020/07/24 by Mohseni, Sina, Yang, Fan, Pentyala, Shiva +6 · 2 citations
    #Artificial Intelligence (cs.AI) #FOS: Computer and information sciences #Information Retrieval (cs.IR) #Social and Information Networks (cs.SI)
  44. Global Voxel Transformer Networks for Augmented Microscopy
    2020/08/05 by Zhengyang Wang, Wang, Zhengyang, Yaochen Xie +3 · 2 citations
    Computer Science · Engineering · Mathematics · #Advanced Image Processing Techniques #Computer Vision and Pattern Recognition (cs.CV) #FOS: Computer and information sciences #FOS: Electrical engineering #Image and Video Processing (eess.IV) #Machine Learning (cs.LG) #Sparse and Compressive Sensing Techniques #Tensor decomposition and applications #electronic engineering #information engineering
  45. Inference-Time Computations for LLM Reasoning and Planning: A Benchmark and Insights
    2025/02/18 by Shubham Parashar, Parashar, Shubham, Olson, Blake +10 · 7 citations
    Computer Science · #Semantic Web and Ontologies #Advanced Database Systems and Queries #Logic, Reasoning, and Knowledge
  46. Active Test-Time Adaptation: Theoretical Analyses and An Algorithm
    2024/04/07 by Gui, Shurui, Li, Xiner, Ji, Shuiwang · 4 citations
    #Artificial Intelligence (cs.AI) #FOS: Computer and information sciences #Machine Learning (cs.LG)
  47. Advanced Graph and Sequence Neural Networks for Molecular Property Prediction and Drug Discovery
    2020/12/02 by Wang, Zhengyang, Liu, Meng, Luo, Youzhi +8 · 2 citations
    #FOS: Biological sciences #FOS: Computer and information sciences #Machine Learning (cs.LG) #Quantitative Methods (q-bio.QM)
  48. Generative AI for Autonomous Driving: Frontiers and Opportunities
    2025/05/13 by Yuping Wang, Shuo Xing, Wang, Yuping +89 · 17 citations
    Engineering · #Artificial Intelligence (cs.AI) #Computer Vision and Pattern Recognition (cs.CV) #FOS: Computer and information sciences #Robotics (cs.RO) #Transportation and Mobility Innovations
  49. Task-Agnostic Graph Explanations
    2022/02/16 by Xie, Yaochen, Katariya, Sumeet, Tang, Xianfeng +4 · 2 citations
    #FOS: Computer and information sciences #Machine Learning (cs.LG)
  50. GraphFM: Improving Large-Scale GNN Training via Feature Momentum
    2022/06/14 by Haiyang Yu, Yu, Haiyang, Limei Wang +9 · 2 citations
    Computer Science · #Advanced Graph Neural Networks #Artificial Intelligence (cs.AI) #FOS: Computer and information sciences #Machine Learning (cs.LG) #Machine Learning and ELM #Stochastic Gradient Optimization Techniques
  51. Dense Transformer Networks
    2017/05/24 by Li Jun, Li, Jun, Yongjun Chen +7 · 2 citations
    Computer Science · #AI in cancer detection #Advanced Image and Video Retrieval Techniques #Advanced Neural Network Applications #Computer Vision and Pattern Recognition (cs.CV) #FOS: Computer and information sciences #Machine Learning (cs.LG) #Machine Learning (stat.ML) #Neural and Evolutionary Computing (cs.NE)
  52. Fragment and Geometry Aware Tokenization of Molecules for Structure-Based Drug Design Using Language Models
    2024/08/19 by C. D. Fu, Xiner Li, Fu, Cong +7 · 4 citations
    Computer Science · Biochemistry, Genetics and Molecular Biology · #Computational Drug Discovery Methods #Protein Structure and Dynamics #Chemical Synthesis and Analysis
  53. Reward-Guided Iterative Refinement in Diffusion Models at Test-Time with Applications to Protein and DNA Design
    2025/02/20 by Masatoshi Uehara, Xingyu Su, Uehara, Masatoshi +13 · 1 voice · 5 citations
    Biochemistry, Genetics and Molecular Biology · Computer Science · Physics and Astronomy · #Gene Regulatory Network Analysis #Generative Adversarial Networks and Image Synthesis #Model Reduction and Neural Networks
  54. Graph Mixup with Soft Alignments
    2023/06/11 by Hongyi Ling, Zhimeng Jiang, Ling, Hongyi +7 · 2 citations
    Computer Science · Neuroscience · #Advanced Graph Neural Networks #Artificial Intelligence (cs.AI) #Brain Tumor Detection and Classification #FOS: Computer and information sciences #Machine Learning (cs.LG) #Recommender Systems and Techniques
  55. Multi-Stage Variational Auto-Encoders for Coarse-to-Fine Image Generation
    2017/05/19 by Lei Cai, Cai, Lei, Hongyang Gao +3 · 1 citation
    Biochemistry, Genetics and Molecular Biology · Computer Science · #Advanced Vision and Imaging #Cell Image Analysis Techniques #Computer Vision and Pattern Recognition (cs.CV) #FOS: Computer and information sciences #Generative Adversarial Networks and Image Synthesis #Machine Learning (cs.LG)
  56. Video Timeline Modeling For News Story Understanding
    2023/09/23 by Meng Liu, Liu, Meng, Mingda Zhang +13 · 2 citations
    Computer Science · Social Sciences · #Computer Vision and Pattern Recognition (cs.CV) #FOS: Computer and information sciences #Multimedia Communication and Technology #Music and Audio Processing #Video Analysis and Summarization
  57. SineNet: Learning Temporal Dynamics in Time-Dependent Partial Differential Equations
    2024/03/28 by Xuan Zhang, Jacob Helwig, Zhang, Xuan +11 · 2 citations
    Physics and Astronomy · #FOS: Computer and information sciences #Machine Learning (cs.LG) #Model Reduction and Neural Networks
  58. Stochastic Optimization of Areas Under Precision-Recall Curves with Provable Convergence
    2021/04/18 by Qi Qi, Qi, Qi, Youzhi Luo +7 · 1 citation
    Computer Science · Medicine · #Artificial Intelligence (cs.AI) #Computer Vision and Pattern Recognition (cs.CV) #Domain Adaptation and Few-Shot Learning #FOS: Computer and information sciences #FOS: Mathematics #Imbalanced Data Classification Techniques #Machine Learning (cs.LG) #Machine Learning and Algorithms #Optimization and Control (math.OC) #Retinal Imaging and Analysis
  59. Neighbor2Seq: Deep Learning on Massive Graphs by Transforming Neighbors to Sequences
    2022/02/07 by Liu, Meng, Ji, Shuiwang · 1 citation
    #FOS: Computer and information sciences #Machine Learning (cs.LG)
  60. Lattice Convolutional Networks for Learning Ground States of Quantum Many-Body Systems
    2022/06/15 by Cong Fu, Xuan Zhang, Fu, Cong +9 · 1 citation
    Computer Science · #Topic Modeling #Expert finding and Q&A systems
  61. Automated Data Augmentations for Graph Classification
    2022/02/26 by Youzhi Luo, Michael McThrow, Luo, Youzhi +11 · 1 citation
    Computer Science · #Machine Learning and ELM #Domain Adaptation and Few-Shot Learning #Advanced Graph Neural Networks
  62. Empowering GNNs via Edge-Aware Weisfeiler-Leman Algorithm
    2022/06/04 by Liu, Meng, Yu, Haiyang, Ji, Shuiwang · 1 citation
    #Artificial Intelligence (cs.AI) #FOS: Computer and information sciences #Machine Learning (cs.LG)
  63. Geometry Informed Tokenization of Molecules for Language Model Generation
    2024/08/19 by Xiner Li, Li, Xiner, Limei Wang +13 · 2 citations
    Computer Science · #Model-Driven Software Engineering Techniques
  64. EcomScriptBench: A Multi-task Benchmark for E-commerce Script Planning via Step-wise Intention-Driven Product Association
    2025/05/21 by Weiqi Wang, Limeng Cui, Wang, Weiqi +31 · 6 citations
    Computer Science · #Software Engineering Research
  65. Discovering Physics Laws of Dynamical Systems via Invariant Function Learning
    2025/02/06 by Gui, Shurui, Li, Xiner, Ji, Shuiwang · 2 citations
    #FOS: Computer and information sciences #Machine Learning (cs.LG)
  66. Fast Quantum Property Prediction via Deeper 2D and 3D Graph Networks
    2021/06/16 by Liu, Meng, Fu, Cong, Zhang, Xuan +7 · 1 citation
    #FOS: Computer and information sciences #Machine Learning (cs.LG)
  67. Generalization in Visual Reinforcement Learning with the Reward Sequence Distribution
    2023/02/19 by Jie Wang, Wang, Jie, Rui Yang +17 · 1 citation
    Computer Science · Neuroscience · #Computer Vision and Pattern Recognition (cs.CV) #FOS: Computer and information sciences #Machine Learning (cs.LG) #Neural Networks and Reservoir Computing #Neural dynamics and brain function #Reinforcement Learning in Robotics
  68. Iterative Distillation for Reward-Guided Fine-Tuning of Diffusion Models in Biomolecular Design
    2025/07/01 by Su, Xingyu, Li, Xiner, Uehara, Masatoshi +7 · 5 citations
    #Artificial Intelligence (cs.AI) #FOS: Biological sciences #FOS: Computer and information sciences #Machine Learning (cs.LG) #Quantitative Methods (q-bio.QM)
  69. Genetic InfoMax: Exploring Mutual Information Maximization in High-Dimensional Imaging Genetics Studies
    2023/09/26 by Yaochen Xie, Ziqian Xie, Xie, Yaochen +7 · 1 citation
    Biochemistry, Genetics and Molecular Biology · #FOS: Biological sciences #FOS: Computer and information sciences #Gene expression and cancer classification #Genetic Associations and Epidemiology #Machine Learning (cs.LG) #Quantitative Methods (q-bio.QM) #Single-cell and spatial transcriptomics
  70. On the Markov Property of Neural Algorithmic Reasoning: Analyses and Methods
    2024/03/07 by Montgomery Bohde, Meng Liu, Bohde, Montgomery +5 · 1 citation
    Computer Science · #Neural Networks and Applications
  71. A Space Group Symmetry Informed Network for O(3) Equivariant Crystal Tensor Prediction
    2024/06/03 by Keqiang Yan, Yan, Keqiang, Alexandra Saxton +7 · 1 citation
    Earth and Planetary Sciences · Environmental Science · Materials Science · #Artificial Intelligence (cs.AI) #Atomic Physics (physics.atom-ph) #FOS: Computer and information sciences #FOS: Physical sciences #Materials Science (cond-mat.mtrl-sci) #Methane Hydrates and Related Phenomena #Seismic Imaging and Inversion Techniques #X-ray Diffraction in Crystallography
  72. A Materials Foundation Model via Hybrid Invariant-Equivariant Architectures
    2025/02/25 by Yan, Keqiang, Bohde, Montgomery, Kryvenko, Andrii +10 · 3 citations
    #Computational Physics (physics.comp-ph) #FOS: Computer and information sciences #FOS: Physical sciences #Machine Learning (cs.LG) #Materials Science (cond-mat.mtrl-sci)
  73. Reasoning with Graphs: Structuring Implicit Knowledge to Enhance LLMs Reasoning
    2025/01/14 by Han, Haoyu, Xie, Yaochen, Liu, Hui +8 · 2 citations
    #Computation and Language (cs.CL) #FOS: Computer and information sciences
  74. Efficient Prediction of SO(3)-Equivariant Hamiltonian Matrices via SO(2) Local Frames
    2025/06/11 by Haiyang Yu, Yu, Haiyang, Lin, Yuchao +6 · 3 citations
    Materials Science · Computer Science · Physics and Astronomy · #Machine Learning in Materials Science #Advanced Graph Neural Networks #Quantum many-body systems