arXiv:2604.01608v1 Announce Type: new Abstract: Multi-agent systems (MAS) tackle complex tasks by distributing expertise, though this often comes at the cost of heavy coordination overhead, context fragmentation, and brittle phase ordering. Distilling a MAS into a single-agent skill can bypass these costs, but this conversion lacks a principled answer for when and what to distill. Instead, the empirical outcome is surprisingly inconsistent: skill lift ranges from a 28% improvement to a 2% degradation across metrics of the exact same task. In this work, we reveal that skill utility is governed not by the task, but by the evaluation metric. We introduce Metric Freedom ($F$), the first a priori predictor of skill utility. $F$ measures the topological rigidity of a metric's scoring landscape by quantifying how output diversity couples with score variance via a Mantel test. Guided by $F$, we propose a two-stage adaptive distillation framework. Stage 1 acts as a selective extraction mechanism, extracting tools and knowledge while discarding restrictive structures on "free" metrics to preserve exploration. Stage 2 targets computationally intensive iterative refinement exclusively toward "rigid" metrics ($F \lesssim 0.6$) to eliminate trajectory-local overfitting. Evaluating across 4 tasks, 11 datasets, and 6 metrics, $F$ strongly predicts skill utility ($\rho = -0.62$, $p

arXiv:2508.02066v2 Announce Type: replace-cross Abstract: Large Language Models (LLMs) have shown impressive performance across various domains, but their ability to perform molecular reasoning remains underexplored. Existing methods mostly rely on general-purpose prompting, which lacks domain-specific molecular semantics, or fine-tuning, which faces challenges in interpretability and reasoning depth, often leading to structural and textual hallucinations. To address these issues, we introduce MolReasoner, a two-stage framework that transitions LLMs from memorization to high-fidelity chemical reasoning. In the Mol-SFT stage, knowledge-enhanced Chain-of-Thought (CoT) data provides a strong foundation, while the Mol-RL stage refines reasoning using a novel, task-adaptive reward system to mitigate hallucinations. Extensive evaluations demonstrate that MolReasoner significantly outperforms a wide range of strong baselines in both molecule generation and captioning tasks. Further analyses highlight the framework's synergistic design and its ability to produce more interpretable outputs. Our work presents a principled and effective new approach for advancing high-fidelity molecular reasoning.