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
Training-free feature forecasting accelerates diffusion sampling by predicting features at skipped denoising steps. Recent work has mainly focused on designing stronger forecasters. Yet forecast error varies sharply across steps, and open-loop caches trust the forecast in full at every skipped step. This fixed trust is...
Yan-Chao Li, Jiaqing Xie, Ben Gao et al.· 0 citations
Despite the potential of Large Language Models (LLMs) in chemical discovery, current LLMs still lack fundamental chemical domain knowledge, produce incoherent reasoning trajectories, and exhibit suboptimal performance across diverse chemical tasks. To address these challenges, we propose Chem-R, a general Chemical Reas...
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
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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