Large Language Models (LLMs) have demonstrated remarkable capabilities on general text; however, their proficiency in specialized scientific domains that require deep, interconnected knowledge remains largely uncharacterized. Metabolomics presents unique challenges with its complex biochemical pathways, heterogeneous identifier systems, and fragmented databases. To systematically evaluate LLM capabilities in this domain, we introduce MetaBench, the first benchmark for metabolomics assessment. Curated from authoritative public resources, MetaBench evaluates five capabilities essential for metabolomics research: knowledge, understanding, grounding, reasoning, and research. Our evaluation of 25 open- and closed-source LLMs reveals distinct performance patterns across metabolomics tasks: while models perform well on text generation tasks, cross-database identifier grounding remains challenging even with retrieval augmentation. Model performance also decreases on long-tail metabolites with sparse annotations. With MetaBench, we provide essential infrastructure for developing and evaluating metabolomics AI systems, enabling systematic progress toward reliable computational tools for metabolomics research.

Paraphrase Identification (PI), a task of determining whether a pair of sentences express the same meaning, is widely applied in Information Retrieval and Question Answering. Data Augmentation (DA) is proven effective in tackling the PI task. However, the majority of DA methods still suffer from two limitations: inefficiency and poor quality. In this study, we propose the Generative Boosting Training (GBT) approach for PI. GBT designs a boosting learning method for a single model based on the human learning process, utilizing seq2seq model to perform DA on misclassified instances periodically. We conduct experiments on the benchmark corpora QQP and LCQMC, towards both English and Chinese PI tasks. Experimental results show that our method yields significant improvements on a variety of Pre-trained Language Model (PLM) based baselines with good efficiency and effectiveness. It is noteworthy that a single BERT model (with a linear classifier) can outperform the state-of-the-art PI models with the boosting of GBT.