publications
Find papers using the search box, or filter publication categories: ML/AI, Scientific Computing, Statistics, Parallel Computing, Optimization, System, Data Science, Graphics and Vision, Application.
2025
- Compressed Decentralized Momentum Stochastic Gradient Methods for Nonconvex OptimizationIn Transactions on Machine Learning Research (TMLR), 2025
- Directed Graph Grammars for Sequence-based LearningIn Proceedings of the 42nd International Conference on Machine Learning (ICML), 2025
- Foundation Molecular Grammar: Multi-Modal Foundation Models Induce Interpretable Molecular Graph LanguagesIn Proceedings of the 42nd International Conference on Machine Learning (ICML), 2025
-
-
- Multimodal Large Language Models for Inverse Molecular Design with Retrosynthetic PlanningIn Proceedings of the Thirteenth International Conference on Learning Representations (ICLR), 2025
- Procedural Synthesis of Synthesizable MoleculesIn Proceedings of the Thirteenth International Conference on Learning Representations (ICLR), 2025
2024
- Graph Neural Flows for Unveiling Systemic Interactions Among Irregularly Sampled Time SeriesIn Advances in Neural Information Processing Systems 37 (NeurIPS), 2024
-
- Representing Molecules as Random Walks Over Interpretable GrammarsIn Proceedings of the Forty-first International Conference on Machine Learning (ICML), 2024
- Boundary Exploration for Bayesian Optimization With Unknown Physical ConstraintsIn Proceedings of the Forty-first International Conference on Machine Learning (ICML), 2024
-
- GLASU: A Communication-Efficient Algorithm for Federated Learning with Vertically Distributed Graph DataIn Transactions on Machine Learning Research (TMLR), 2024
-
2023
- Federated Learning of Models Pre-Trained on Different Features with Consensus GraphsIn Proceedings of the Thirty-Ninth Conference on Uncertainty in Artificial Intelligence (UAI), 2023
- A Gromov–Wasserstein Geometric View of Spectrum-Preserving Graph CoarseningIn Proceedings of the Fortieth International Conference on Machine Learning (ICML), 2023
- GC-Flow: A Graph-Based Flow Network for Effective ClusteringIn Proceedings of the Fortieth International Conference on Machine Learning (ICML), 2023
- Hierarchical Grammar-Induced Geometry for Data-Efficient Molecular Property PredictionIn Proceedings of the Fortieth International Conference on Machine Learning (ICML), 2023
- Compressed Decentralized Proximal Stochastic Gradient Method for Nonconvex Composite Problems with Heterogeneous DataIn Proceedings of the Fortieth International Conference on Machine Learning (ICML), 2023
-
-
- Communication-Efficient Graph Neural Networks with Probabilistic Neighborhood Expansion Analysis and CachingIn Proceedings of Machine Learning and Systems 5 (MLSys), 2023
- Graph Neural Network-Inspired Kernels for Gaussian Processes in Semi-Supervised LearningIn Proceedings of the Eleventh International Conference on Learning Representations (ICLR), 2023
-
-
2022
2021
-
- Project CodeNet: A Large-Scale AI for Code Dataset for Learning a Diversity of Coding TasksIn Proceedings of the Neural Information Processing Systems Track on Datasets and Benchmarks 1 (NeurIPS), 2021
- Discrete Graph Structure Learning for Forecasting Multiple Time SeriesIn Proceedings of the Ninth International Conference on Learning Representations (ICLR), 2021
- Directed Acyclic Graph Neural NetworksIn Proceedings of the Ninth International Conference on Learning Representations (ICLR), 2021
-
2020
2019
-
- DAG-GNN: DAG Structure Learning with Graph Neural NetworksIn Proceedings of the Thirty-sixth International Conference on Machine Learning (ICML), 2019
-
2018
-
- Constrained Generation of Semantically Valid Graphs via Regularizing Variational AutoencodersIn Advances in Neural Information Processing Systems 31 (NeurIPS), 2018
-
-