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