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MolReasoner: Toward Effective and Interpretable Reasoning for Molecular LLMs

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.

LQA: A Lightweight Quantized-Adaptive Framework for Vision-Language Models on the Edge

arXiv:2602.07849v2 Announce Type: replace Abstract: Deploying Vision-Language Models (VLMs) on edge devices is challenged by resource constraints and performance degradation under distribution shifts. While test-time adaptation (TTA) can counteract such shifts, existing methods are too resource-intensive for on-device deployment. To address this challenge, we propose LQA, a lightweight, quantized-adaptive framework for VLMs that combines a modality-aware quantization strategy with gradient-free test-time adaptation. We introduce Selective Hybrid Quantization (SHQ) and a quantized, gradient-free adaptation mechanism to enable robust and efficient VLM deployment on resource-constrained hardware. Experiments across both synthetic and real-world distribution shifts show that LQA improves overall adaptation performance by 4.5\%, uses less memory than full-precision models, and significantly outperforms gradient-based TTA methods, achieving up to 19.9$\times$ lower memory usage across seven open-source datasets. These results demonstrate that LQA offers a practical pathway for robust, privacy-preserving, and efficient VLM deployment on edge devices.
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