This work designs five types of multimodal tasks across text, molecular SMILES strings and images, and curates the datasets, demonstrating the feasibility of unifying multiple cross-modal chemical tasks within a single foundation model and enabling more intuitive, visual human-AI interaction.
Qian Tan, Di Zhang, Ben Gao et al.· arXiv.org· 16 citations
This work introduces RACER, a training-free closed-loop controller that continuously shrinks uncertain forecasts toward the last computed feature and derives a deterministic error bound for the shrinkage and empirically evaluates its validity and tightness across acceleration regimes.
Yan-Chao Li, Jia-Qing Xie, Ben Gao et al.· 1 citation
The proposed Chem-R, a general Chemical Reasoning model designed to emulate the deliberative processes of chemists, achieves state-of-the-art performance on comprehensive benchmarks, surpassing leading LLMs, including Gemini-3-Pro and Kimi-k2.5.
Weida Wang, Benteng Chen, Di Zhang et al.· Proceedings of the 32nd ACM...· 0 citations
This work establishes a question-level audit under fixed budgets, temperatures, and answer formats, and asks why reachable answers sometimes fail to appear, and test whether inference-time layer routing can expand reachability.
Yan-Chao Li, Wan-Hao Liu, Jia-Qing Xie et al.· 0 citations
A manually verified, solvent-annotated 11B NMR data set constructed via a large language model (LLM)-assisted workflow provides a form of virtual spectral resolution, enabling the discrimination of chemically inequivalent boron sites that are difficult to resolve experimentally.
Peng-Hui Li, Ben Gao, Shi-Yang Wang et al.· JACS Au· 0 citations
The proposed Chem-R, a general Chemical Reasoning model designed to emulate the deliberative processes of chemists, achieves state-of-the-art performance on comprehensive benchmarks, surpassing leading LLMs, including Gemini-3-Pro and Kimi-k2.5.
Weida Wang, Benteng Chen, Di Zhang et al.· Proceedings of the 32nd ACM...· 0 citations
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