With the increasing interest in robotic synthesis in the context of organic chemistry, the automated extraction of chemical procedures from literature is critical. However, this task remains challenging due to the inherent ambiguity of chemical language and the high cost of human annotation required for developing reliable computer-aided extraction protocols. Here, we present ChemActor, a fully fine-tuned large language model (LLM), as a chemical executor to convert between unstructured experimental procedures and structured action sequences. We propose a sequential LLM-generated data framework to address the challenges of insufficient and low-quality annotated data. This framework integrates a data selection module that selects data based on distribution divergence, with a general-purpose LLM, to generate machine-executable actions from a single molecule input. Additionally, we introduce a novel multi-round LLMs circle review metric, which reflects the model’s advanced understanding of chemical experimental procedures. Extensive experiments on reaction-to-description (R2D) and description-to-action (D2A) tasks demonstrate that ChemActor, augmented by LLM-generated data, achieves state-of-the-art performance, outperforming the baseline model by 10%. The code is available at: https://github.com/Zhanghahah/ChemActor.

Cross-lingual document search is an information retrieval task in which the queries’ language and the documents’ language are different. In this paper, we study the instability of neural document search models and propose a novel end-to-end robust framework that achieves improved performance in cross-lingual search with different documents’ languages. This framework includes a novel measure of the relevance, smooth cosine similarity, between queries and documents, and a novel loss function, Smooth Ordinal Search Loss, as the objective function. We further provide theoretical guarantee on the generalization error bound for the proposed framework. We conduct experiments to compare our approach with other document search models, and observe significant gains under commonly used ranking metrics on the cross-lingual document retrieval task in a variety of languages.