vix.ing · top · new · best · stats · spec

Shuiwang Ji

  1. On Explainability of Graph Neural Networks via Subgraph Explorations
    2021/02/09 by Hao Yuan, Yuan, Hao, Haiyang Yu +7 · 24 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)
  2. Explainability in Graph Neural Networks: A Taxonomic Survey
    2020/12/31 by Hao Yuan, Yuan, Hao, Haiyang Yu +5 · 21 citations
    Computer Science · #Advanced Graph Neural Networks #Explainable Artificial Intelligence (XAI) #Machine Learning in Healthcare
  3. TrustLLM: Trustworthiness in Large Language Models
    2024/01/01 by Yue Huang, Lichao Sun, Huang, Yue +136 · 30 citations
    Medicine · Computer Science · #Artificial Intelligence in Healthcare and Education #Privacy-Preserving Technologies in Data #Explainable Artificial Intelligence (XAI)
  4. GraphDF: A Discrete Flow Model for Molecular Graph Generation
    2021/02/01 by Youzhi Luo, Keqiang Yan, Luo, Youzhi +3 · 16 citations
    Materials Science · Computer Science · #Machine Learning in Materials Science #Advanced Graph Neural Networks #Computational Drug Discovery Methods
  5. Artificial Intelligence for Science in Quantum, Atomistic, and Continuum Systems
    2023/07/17 by Xuan Zhang, Limei Wang, Zhang, Xuan +123 · 1 voice · 17 citations
    #cs.LG #physics.comp-ph
  6. Spherical Message Passing for 3D Graph Networks
    2021/02/09 by Yi Liu, Limei Wang, Liu, Yi +9 · 13 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)
  7. A Comprehensive Survey of Scientific Large Language Models and Their Applications in Scientific Discovery
    2024/06/16 by Yu Zhang, Xiusi Chen, Zhang, Yu +10 · 23 citations
    Computer Science · #Computation and Language (cs.CL) #FOS: Computer and information sciences #Topic Modeling
  8. Periodic Graph Transformers for Crystal Material Property Prediction
    2022/09/23 by Keqiang Yan, Yi Liu, Yan, Keqiang +5 · 13 citations
    Materials Science · #Machine Learning in Materials Science #X-ray Diffraction in Crystallography
  9. Self-Supervised Learning of Graph Neural Networks: A Unified Review
    2021/02/22 by Yaochen Xie, Xu Zhao, Xie, Yaochen +7 · 9 citations
    Computer Science · #Advanced Graph Neural Networks #FOS: Computer and information sciences #Machine Learning (cs.LG) #Text and Document Classification Technologies #Topic Modeling
  10. Generating 3D Molecules for Target Protein Binding
    2022/04/19 by Meng Liu, Youzhi Luo, Liu, Meng +7 · 10 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. GOOD: A Graph Out-of-Distribution Benchmark
    2022/06/16 by Shurui Gui, Gui, Shurui, Xiner Li +5 · 9 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)
  12. Efficient and Equivariant Graph Networks for Predicting Quantum Hamiltonian
    2023/06/08 by Haiyang Yu, Yu, Haiyang, Xu Zhao +7 · 10 citations
    Materials Science · Biochemistry, Genetics and Molecular Biology · Physics and Astronomy · #Machine Learning in Materials Science #Protein Structure and Dynamics #Advanced Chemical Physics Studies
  13. Learning Hierarchical Protein Representations via Complete 3D Graph Networks
    2022/07/26 by Limei Wang, Wang, Limei, Haoran Liu +7 · 5 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)
  14. Complete and Efficient Graph Transformers for Crystal Material Property Prediction
    2024/03/18 by Keqiang Yan, Yan, Keqiang, Cong Fu +7 · 7 citations
    Materials Science · #Machine Learning in Materials Science #X-ray Diffraction in Crystallography
  15. Noise2Same: Optimizing A Self-Supervised Bound for Image Denoising
    2020/10/22 by Yaochen Xie, Xie, Yaochen, Zhengyang Wang +3 · 4 citations
    Computer Science · Engineering · #Image and Signal Denoising Methods #Image Processing Techniques and Applications #Photoacoustic and Ultrasonic Imaging
  16. QH9: A Quantum Hamiltonian Prediction Benchmark for QM9 Molecules
    2023/06/15 by Haiyang Yu, Meng Liu, Yu, Haiyang +11 · 5 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
  17. Dynamic Search for Inference-Time Alignment in Diffusion Models
    2025/03/03 by Xiner Li, Li, Xiner, Masatoshi Uehara +13 · 11 citations
    Physics and Astronomy · #Model Reduction and Neural Networks
  18. 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
  19. DiffMS: Diffusion Generation of Molecules Conditioned on Mass Spectra
    2025/02/13 by Montgomery Bohde, Bohde, Montgomery, Mrunali Manjrekar +7 · 8 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
  20. A new perspective on building efficient and expressive 3D equivariant graph neural networks
    2023/04/07 by Weitao Du, Yuanqi Du, Du, Weitao +13 · 3 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
  21. FlowX: Towards Explainable Graph Neural Networks via Message Flows
    2022/06/26 by Shurui Gui, Hao Yuan, Gui, Shurui +9 · 3 citations
    Computer Science · #Advanced Graph Neural Networks #Explainable Artificial Intelligence (XAI)
  22. Adversarial Attacks and Defenses on Graphs: A Review, A Tool and Empirical Studies
    2020/03/02 by Wei Jin, Jin, Wei, Yaxin Li +11 · 6 citations
    Computer Science · Social Sciences · #Adversarial Robustness in Machine Learning #Advanced Graph Neural Networks #Ethics and Social Impacts of AI
  23. Joint Learning of Label and Environment Causal Independence for Graph Out-of-Distribution Generalization
    2023/06/01 by Shurui Gui, Meng Liu, Gui, Shurui +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
  24. ChannelNets: Compact and Efficient Convolutional Neural Networks via Channel-Wise Convolutions
    2018/09/05 by Hongyang Gao, Gao, Hongyang, Zhengyang Wang +3 · 4 citations
    Computer Science · #Advanced Neural Network Applications #Adversarial Robustness in Machine Learning #Domain Adaptation and Few-Shot Learning
  25. Inference-Time Computations for LLM Reasoning and Planning: A Benchmark and Insights
    2025/02/18 by Shubham Parashar, Parashar, Shubham, Sambhav Khurana +10 · 6 citations
    Computer Science · #Semantic Web and Ontologies #Advanced Database Systems and Queries #Logic, Reasoning, and Knowledge
  26. 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
  27. Generative AI for Autonomous Driving: Frontiers and Opportunities
    2025/05/13 by Yuping Wang, Wang, Yuping, Shuo Xing +89 · 11 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
  28. 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
  29. Fragment and Geometry Aware Tokenization of Molecules for Structure-Based Drug Design Using Language Models
    2024/08/19 by C. D. Fu, Fu, Cong, Xiner Li +7 · 3 citations
    Computer Science · Biochemistry, Genetics and Molecular Biology · #Computational Drug Discovery Methods #Protein Structure and Dynamics #Chemical Synthesis and Analysis
  30. Reward-Guided Iterative Refinement in Diffusion Models at Test-Time with Applications to Protein and DNA Design
    2025/02/20 by Masatoshi Uehara, Uehara, Masatoshi, Xingyu Su +13 · 1 voice · 3 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
  31. Duality-Induced Regularizer for Semantic Matching Knowledge Graph Embeddings
    2022/03/24 by Jie Wang, Wang, Jie, Zhanqiu Zhang +9 · 1 citation
    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
  32. Dense Transformer Networks
    2017/05/24 by Li Jun, Li, Jun, Yongjun Chen +7 · 1 citation
    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)
  33. Lattice Convolutional Networks for Learning Ground States of Quantum Many-Body Systems
    2022/06/15 by Cong Fu, Fu, Cong, Xuan Zhang +9 · 1 citation
    Computer Science · #Topic Modeling #Expert finding and Q&A systems
  34. 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
  35. Geometry Informed Tokenization of Molecules for Language Model Generation
    2024/08/19 by Xiner Li, Limei Wang, Li, Xiner +13 · 2 citations
    Computer Science · #Model-Driven Software Engineering Techniques
  36. EcomScriptBench: A Multi-task Benchmark for E-commerce Script Planning via Step-wise Intention-Driven Product Association
    2025/05/21 by Weiqi Wang, Wang, Weiqi, Limeng Cui +31 · 5 citations
    Computer Science · #Software Engineering Research
  37. Genetic InfoMax: Exploring Mutual Information Maximization in High-Dimensional Imaging Genetics Studies
    2023/09/26 by Yaochen Xie, Xie, Yaochen, Ziqian Xie +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
  38. 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
  39. SineNet: Learning Temporal Dynamics in Time-Dependent Partial Differential Equations
    2024/03/28 by Xuan Zhang, Jacob Helwig, Zhang, Xuan +11 · 1 citation
    Physics and Astronomy · #FOS: Computer and information sciences #Machine Learning (cs.LG) #Model Reduction and Neural Networks
  40. 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
  41. When Do Multi-Agent Systems Help? An Information Bottleneck Perspective
    2026/07/17 by Wendi Yu, Lianhao Zhou, Xiangjue Dong +6
    #cs.LG #cs.AI