2024
Unsupervised Discovery of Steerable Factors When Graph Deep Generative Models Are Entangled.
Trans. Mach. Learn. Res., 2024
Targetless External Reference Calibration of LiDAR and Camera in Autonomous Driving Environment.
IEEE Trans. Instrum. Meas., 2024
Manifold-Constrained Nucleus-Level Denoising Diffusion Model for Structure-Based Drug Design.
CoRR, 2024
Does DetectGPT Fully Utilize Perturbation? Bridge Selective Perturbation to Fine-tuned Contrastive Learning Detector would be Better.
CoRR, 2024
A Multi-Grained Symmetric Differential Equation Model for Learning Protein-Ligand Binding Dynamics.
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CoRR, 2024
A quatum inspired neural network for geometric modeling.
CoRR, 2024
MProt-DPO: Breaking the ExaFLOPS Barrier for Multimodal Protein Design Workflows with Direct Preference Optimization.
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Proceedings of the International Conference for High Performance Computing, 2024
CARE: a Benchmark Suite for the Classification and Retrieval of Enzymes.
Proceedings of the Advances in Neural Information Processing Systems 38: Annual Conference on Neural Information Processing Systems 2024, 2024
Improving Domain Generalization with Domain Relations.
Proceedings of the Twelfth International Conference on Learning Representations, 2024
Conversational Drug Editing Using Retrieval and Domain Feedback.
Proceedings of the Twelfth International Conference on Learning Representations, 2024
Does DetectGPT Fully Utilize Perturbation? Bridging Selective Perturbation to Fine-tuned Contrastive Learning Detector would be Better.
Proceedings of the 62nd Annual Meeting of the Association for Computational Linguistics (Volume 1: Long Papers), 2024
2023
Multi-modal molecule structure-text model for text-based retrieval and editing.
Nat. Mac. Intell., December, 2023
Evaluating Scalable Supervised Learning for Synthesize-on-Demand Chemical Libraries.
J. Chem. Inf. Model., September, 2023
ChemSpacE: Interpretable and Interactive Chemical Space Exploration.
Trans. Mach. Learn. Res., 2023
Scientific discovery in the age of artificial intelligence.
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Nat., 2023
ChatGPT-powered Conversational Drug Editing Using Retrieval and Domain Feedback.
CoRR, 2023
A Text-guided Protein Design Framework.
CoRR, 2023
Leveraging Domain Relations for Domain Generalization.
CoRR, 2023
GIMLET: A Unified Graph-Text Model for Instruction-Based Molecule Zero-Shot Learning.
Proceedings of the Advances in Neural Information Processing Systems 36: Annual Conference on Neural Information Processing Systems 2023, 2023
Evaluating Self-Supervised Learning for Molecular Graph Embeddings.
Proceedings of the Advances in Neural Information Processing Systems 36: Annual Conference on Neural Information Processing Systems 2023, 2023
Symmetry-Informed Geometric Representation for Molecules, Proteins, and Crystalline Materials.
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Proceedings of the Advances in Neural Information Processing Systems 36: Annual Conference on Neural Information Processing Systems 2023, 2023
Molecule Joint Auto-Encoding: Trajectory Pretraining with 2D and 3D Diffusion.
Proceedings of the Advances in Neural Information Processing Systems 36: Annual Conference on Neural Information Processing Systems 2023, 2023
A Group Symmetric Stochastic Differential Equation Model for Molecule Multi-modal Pretraining.
Proceedings of the International Conference on Machine Learning, 2023
Molecular Geometry Pretraining with SE(3)-Invariant Denoising Distance Matching.
Proceedings of the Eleventh International Conference on Learning Representations, 2023
An Empirical Study of Retrieval-Enhanced Graph Neural Networks.
Proceedings of the ECAI 2023 - 26th European Conference on Artificial Intelligence, September 30 - October 4, 2023, Kraków, Poland, 2023
Flaky Performances When Pretraining on Relational Databases (Student Abstract).
Proceedings of the Thirty-Seventh AAAI Conference on Artificial Intelligence, 2023
2022
Attentive Walk-Aggregating Graph Neural Networks.
Trans. Mach. Learn. Res., 2022
Flaky Performances when Pretraining on Relational Databases.
CoRR, 2022
Evaluating Self-Supervised Learning for Molecular Graph Embeddings.
CoRR, 2022
Augmenting Message Passing by Retrieving Similar Graphs.
CoRR, 2022
MolGenSurvey: A Systematic Survey in Machine Learning Models for Molecule Design.
CoRR, 2022
TorchDrug: A Powerful and Flexible Machine Learning Platform for Drug Discovery.
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CoRR, 2022
Pre-training Molecular Graph Representation with 3D Geometry.
Proceedings of the Tenth International Conference on Learning Representations, 2022
Structured Multi-task Learning for Molecular Property Prediction.
Proceedings of the International Conference on Artificial Intelligence and Statistics, 2022
2021
An Analysis of Attentive Walk-Aggregating Graph Neural Networks.
CoRR, 2021
BERT4SO: Neural Sentence Ordering by Fine-tuning BERT.
CoRR, 2021
Neural Sentence Ordering Based on Constraint Graphs.
Proceedings of the Thirty-Fifth AAAI Conference on Artificial Intelligence, 2021
2020
Achieving User-Defined Location Privacy Preservation Using a P2P System.
IEEE Access, 2020
Bad Global Minima Exist and SGD Can Reach Them.
Proceedings of the Advances in Neural Information Processing Systems 33: Annual Conference on Neural Information Processing Systems 2020, 2020
Learning to Navigate The Synthetically Accessible Chemical Space Using Reinforcement Learning.
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Proceedings of the 37th International Conference on Machine Learning, 2020
2019
An Adaptive Online Scheme for Scheduling and Resource Enforcement in Storm.
IEEE/ACM Trans. Netw., 2019
Learning Drug Functions from Chemical Structures with Convolutional Neural Networks and Random Forests.
J. Chem. Inf. Model., 2019
Practical Model Selection for Prospective Virtual Screening.
J. Chem. Inf. Model., 2019
N-Gram Graph: Simple Unsupervised Representation for Graphs, with Applications to Molecules.
Proceedings of the Advances in Neural Information Processing Systems 32: Annual Conference on Neural Information Processing Systems 2019, 2019
Evaluation of Hybrid Si/SiC Three-Level Active Neutral-Point-Clamped Inverters.
Proceedings of the 28th IEEE International Symposium on Industrial Electronics, 2019
A Generalized Moving Average Filter for Active Power Filter Applications.
Proceedings of the 28th IEEE International Symposium on Industrial Electronics, 2019
WRT: Constructing Users' Web Request Trees from HTTP Header Logs.
Proceedings of the 2019 IEEE International Conference on Communications, 2019
Loss-Balanced Task Weighting to Reduce Negative Transfer in Multi-Task Learning.
Proceedings of the Thirty-Third AAAI Conference on Artificial Intelligence, 2019
2018
Dissecting persistent instability of web service: A joint perspective of server schedule dynamics and path latency.
Int. J. Commun. Syst., 2018
N-Gram Graph, A Novel Molecule Representation.
CoRR, 2018
ATOMO: Communication-efficient Learning via Atomic Sparsification.
Proceedings of the Advances in Neural Information Processing Systems 31: Annual Conference on Neural Information Processing Systems 2018, 2018
A Multi-dimension Measurement Study of a Large Scale Campus WiFi Network.
Proceedings of the 43rd IEEE Conference on Local Computer Networks, 2018