Liang Zhao

Jiangshan Duo, Hanyu Li, Hailin Zhang et al.

Reinforcement Learning with Verifiable Rewards (RLVR) has become a standard paradigm for reasoning in Large Language Models. However, optimizing solely for final-answer correctness often drives models into aimless, verbose exploration, where they rely on exhaustive trial-and-error tactics rather than structured planning to reach solutions. While heuristic constraints like length penalties can reduce verbosity, they often truncate essential reasoning steps, creating a difficult trade-off between efficiency and verification. In this paper, we argue that discriminative capability is a prerequisite for efficient generation: by learning to distinguish valid solutions, a model can internalize a guidance signal that prunes the search space. We propose JudgeRLVR, a two-stage judge-then-generate paradigm. In the first stage, we train the model to judge solution responses with verifiable answers. In the second stage, we fine-tune the same model with vanilla generating RLVR initialized from the judge. Compared to Vanilla RLVR using the same math-domain training data, JudgeRLVR achieves a better quality--efficiency trade-off for Qwen3-30B-A3B: on in-domain math, it delivers about +3.7 points average accuracy gain with -42\% average generation length; on out-of-domain benchmarks, it delivers about +4.5 points average accuracy improvement, demonstrating enhanced generalization.

Bo Pan, Zhiping Zhang, Kevin Spiekermann et al.

Functional group replacement is a pivotal approach in cheminformatics to enable the design of novel chemical compounds with tailored properties. Traditional methods for functional group removal and replacement often rely on rule-based heuristics, which can be limited in their ability to generate diverse and novel chemical structures. Recently, transformer-based models have shown promise in improving the accuracy and efficiency of molecular transformations, but existing approaches typically focus on single-step modeling, lacking the guarantee of structural similarity. In this work, we seek to advance the state of the art by developing a novel two-stage transformer model for functional group removal and replacement. Unlike one-shot approaches that generate entire molecules in a single pass, our method generates the functional group to be removed and appended sequentially, ensuring strict substructure-level modifications. Using a matched molecular pairs (MMPs) dataset derived from ChEMBL, we trained an encoder-decoder transformer model with SMIRKS-based representations to capture transformation rules effectively. Extensive evaluations demonstrate our method's ability to generate chemically valid transformations, explore diverse chemical spaces, and maintain scalability across varying search sizes.