2025
Self-Training Large Language Models with Confident Reasoning.
CoRR, May, 2025

2024
De novo drug design through gradient-based regularized search in information-theoretically controlled latent space.
J. Comput. Aided Mol. Des., December, 2024

Can LLMs Generate Diverse Molecules? Towards Alignment with Structural Diversity.
CoRR, 2024

Pessimistic Backward Policy for GFlowNets.
Proceedings of the Advances in Neural Information Processing Systems 38: Annual Conference on Neural Information Processing Systems 2024, 2024

Learning Energy Decompositions for Partial Inference in GFlowNets.
Proceedings of the Twelfth International Conference on Learning Representations, 2024

2023
Diffusion Probabilistic Models for Graph-Structured Prediction.
CoRR, 2023

Diffusion Probabilistic Models for Structured Node Classification.
Proceedings of the Advances in Neural Information Processing Systems 36: Annual Conference on Neural Information Processing Systems 2023, 2023