From the 1 of 4 linked papers with an AI index.
4 papers
Q-Steer: Action-Value Guidance for Molecular Policy Optimization
Xinyu Wang, Jinbo Bi, Minghu Song
The paper introduces Q‑Steer, a rollout‑time action‑value steering method that uses a frozen prefix‑action value scorer to bias token sampling in molecular language models, improvi…
SIGMA: Semantic Identifier Grouping for Molecular Autoregression
Xinyu Wang, Fei Dou, Jinbo Bi +1
Autoregressive molecular models assign probability to molecular serializations even though chemical identity is invariant to serialization. Equivalent serializations can therefore…
LARV: Data-Free Layer-wise Adaptive Rescaling Veneer for Model Merging
Xinyu Wang, Ke Deng, Fei Dou +2
Model merging aims to combine multiple fine-tuned models into a single multi-task model without access to training data. Existing task-vector merging methods such as TIES, TSV-M, a…
Leveraging Partial SMILES Validation Scheme for Enhanced Drug Design in Reinforcement Learning Frameworks
Xinyu Wang, Jinbo Bi, Minghu Song
SMILES-based molecule generation has emerged as a powerful approach in drug discovery. Deep reinforcement learning (RL) using large language model (LLM) has been incorporated into…