Abstract:Multimodal Large Language Models demonstrate strong performance on natural image understanding, yet exhibit limited capability in interpreting scientific images, including but not limited to schematic diagrams, experimental characterizations, and analytical charts. This limitation is particularly pronounced in open-source MLLMs. The gap largely stems from existing datasets with limited domain coverage, coarse structural annotations, and weak semantic grounding. We introduce OmniScience, a large-scale, high-fidelity multi-modal dataset comprising 1.5 million figure-caption-context triplets, spanning more than 10 major scientific disciplines. To obtain image caption data with higher information density and accuracy for multi-modal large-model training, we develop a dynamic model-routing re-captioning pipeline that leverages state-of-the-art multi-modal large language models to generate dense, self-contained descriptions by jointly synthesizing visual features, original figure captions, and corresponding in-text references authored by human scientists. The pipeline is further reinforced with rigorous quality filtering and alignment with human expert judgments, ensuring both factual accuracy and semantic completeness, and boosts the image-text multi-modal similarity score from 0.769 to 0.956. We further propose a caption QA protocol as a proxy task for evaluating visual understanding. Under this setting, Qwen2.5-VL-3B model finetuned on OmniScience show substantial gains over baselines, achieving a gain of 0.378 on MM-MT-Bench and a gain of 0.140 on MMMU.
Abstract:The integration of Multimodal Large Language Models (MLLMs) into chemistry promises to revolutionize scientific discovery, yet their ability to comprehend the dense, graphical language of reactions within authentic literature remains underexplored. Here, we introduce RxnBench, a multi-tiered benchmark designed to rigorously evaluate MLLMs on chemical reaction understanding from scientific PDFs. RxnBench comprises two tasks: Single-Figure QA (SF-QA), which tests fine-grained visual perception and mechanistic reasoning using 1,525 questions derived from 305 curated reaction schemes, and Full-Document QA (FD-QA), which challenges models to synthesize information from 108 articles, requiring cross-modal integration of text, schemes, and tables. Our evaluation of MLLMs reveals a critical capability gap: while models excel at extracting explicit text, they struggle with deep chemical logic and precise structural recognition. Notably, models with inference-time reasoning significantly outperform standard architectures, yet none achieve 50\% accuracy on FD-QA. These findings underscore the urgent need for domain-specific visual encoders and stronger reasoning engines to advance autonomous AI chemists.
Abstract:This technical report introduces Uni-Parser, an industrial-grade document parsing engine tailored for scientific literature and patents, delivering high throughput, robust accuracy, and cost efficiency. Unlike pipeline-based document parsing methods, Uni-Parser employs a modular, loosely coupled multi-expert architecture that preserves fine-grained cross-modal alignments across text, equations, tables, figures, and chemical structures, while remaining easily extensible to emerging modalities. The system incorporates adaptive GPU load balancing, distributed inference, dynamic module orchestration, and configurable modes that support either holistic or modality-specific parsing. Optimized for large-scale cloud deployment, Uni-Parser achieves a processing rate of up to 20 PDF pages per second on 8 x NVIDIA RTX 4090D GPUs, enabling cost-efficient inference across billions of pages. This level of scalability facilitates a broad spectrum of downstream applications, ranging from literature retrieval and summarization to the extraction of chemical structures, reaction schemes, and bioactivity data, as well as the curation of large-scale corpora for training next-generation large language models and AI4Science models.