Abstract:LLM judges are increasingly used to evaluate open-ended responses, but their scores depend strongly on the rubrics that condition them. A vague rubric asking for a response to be ``helpful and factual'' can reward polished answers that invent facts or violate user intent. We treat reusable rubrics as measurement specifications: changing the rubric changes the response quality measurement induced by a fixed judge. We introduce PReMISE, a framework that, given pairwise human-preference data, (i) discovers a policy-level rubric set, and (ii) audits any rubric set under LLM-judge use along four axes: structural adequacy, reliability, preference fit, and adversarial robustness. Across rubric sources no raw source is simultaneously reliable, preference-predictive, and adversarially robust; and high inter-rater agreement does not imply low exploitability. PReMISE is the only rubric source to score non-trivially on applicability, specificity, and effective dimensionality simultaneously. We contribute two audit-targeted repair operations: preference-rank selection raises judge accuracy on paired responses from $65.0\%$ to $68.6\%$, competitive with the strongest rubric-discovery baselines and leading on two of three judges in our cross-judge sweep; reliability-constrained refinement reduces the rate at which exploit responses receive high scores from $46.4\%$ to $36.0\%$ with little change in inter-judge agreement ($α{=}.531\to.519$).
Abstract:Large language models (LLMs) show promise for molecular optimization, but aligning them with selective and competing drug-design constraints remains challenging. We propose C-Moral, a reinforcement learning post-training framework for controllable multi-objective molecular optimization. C-Moral combines group-based relative optimization, property score alignment for heterogeneous objectives, and continuous non-linear reward aggregation to improve stability across competing properties. Experiments on the C-MuMOInstruct benchmark show that C-Moral consistently outperforms state-of-the-art models across both in-domain and out-of-domain settings, achieving the best Success Optimized Rate (SOR) of 48.9% on IND tasks and 39.5% on OOD tasks, while largely preserving scaffold similarity. These results suggest that RL post-training is an effective way to align molecular language models with continuous molecular design objectives. Our code and models are publicly available at https://github.com/Rwigie/C-MORAL.