Preprint, arXiv, 2026
Structure-invariant alignment and isomorphic beam search for autoregressive molecular generation.
Recommended citation: Xinyu Wang, Fei Dou, Jinbo Bi, Minghu Song. SIGMA: Structure-Invariant Generative Molecular Alignment for Chemical Language Models via Autoregressive Contrastive Learning. arXiv:2603.25062, 2026. https://arxiv.org/abs/2603.25062
Under review, Manuscript under review, 2026
Data-free performance enhancement for task-vector model merging.
Recommended citation: Xinyu Wang, Kangwei Deng, Fei Dou, Jinbo Bi, Jiangwen Lu. DIAL: Data-Free Interference-Aware Layer-Scaling via Diagnostic Composition for Task-Vector Model Merging. Manuscript under review, 2026.
Preprint, arXiv, 2025
Partial SMILES validation for reinforcement learning based molecular generation.
Recommended citation: Xinyu Wang, Jinbo Bi, Minghu Song. Leveraging Partial SMILES Validation Scheme for Enhanced Drug Design in Reinforcement Learning Frameworks. arXiv:2505.00530, 2025. https://arxiv.org/abs/2505.00530
Preprint, arXiv, 2025
Cross-platform mobile sensing and domain adaptation for depression treatment outcome prediction.
Recommended citation: Soumyashree Sahoo, Chinmaey Shende, Md. Zakir Hossain, Parit Patel, Yushuo Niu, Xinyu Wang, Shweta Ware, Jinbo Bi, Jayesh Kamath, Alexander Russel, Dongjin Song, Qian Yang, Bing Wang. Cross-platform Prediction of Depression Treatment Outcome Using Location Sensory Data on Smartphones. arXiv:2503.07883, 2025. https://arxiv.org/abs/2503.07883
Published, Advances in Neural Information Processing Systems 36 (NeurIPS), 2023
Adaptive-order interaction modeling with a polyhedron attention module.
Recommended citation: T. Zhu, F. Dou, Xinyu Wang, Jiangwen Lu, Jinbo Bi. Polyhedron attention module: learning adaptive-order interactions. Advances in Neural Information Processing Systems 36 (NeurIPS), 9213-9225, 2023.
Published, Molecular Informatics, 2023
Hierarchical chemical graph representation and multi-resolution graph VAE for molecular generation.
Recommended citation: Zhenxiang Gao, Xinyu Wang, Blake Blumenfeld Gaines, Xuetao Shi, Jinbo Bi, Minghu Song. Fragment-based deep molecular generation using hierarchical chemical graph representation and multi-resolution graph variational autoencoder. Molecular Informatics, 42(5), 2200215, 2023. https://onlinelibrary.wiley.com/doi/10.1002/minf.202200215
Published, BMC Systems Biology, 2018
Collaborative matrix completion for phenotype inference from substance use.
Recommended citation: Jin Lu, Jiangwen Sun, Xinyu Wang, Henry R. Kranzler, Joel Gelernter, Jinbo Bi. Inferring phenotypes from substance use via collaborative matrix completion. BMC Systems Biology, 12, 15-27, 2018. https://bmcsystbiol.biomedcentral.com/articles/10.1186/s12918-018-0623-5
Published, , 2017
Recommended citation: Jin Lu, Jiangwen Sun, Xinyu Wang, Henry R. Kranzler, Joel Gelernter, and Jinbo Bi Proceedings of IEEE International Conference on Bioinformatics and Biomedicine (BIBM), pp. 392-397, 2017. http://www.engr.uconn.edu/~jil14036/paper/bibm-lu-2017.pdf