Large-scale chemical reaction datasets are crucial for AI research in chemistry. However, existing chemical reaction data often exist as images within papers, making them not machine-readable and unusable for training machine learning models. In response to this challenge, we propose the RxnCaption framework for the task of chemical Reaction Diagram Parsing (RxnDP). Our framework reformulates the traditional coordinate prediction driven parsing process into an image captioning problem, which Large Vision Language Models (LVLMs) handle naturally. We introduce a strategy termed "BBox and Index as Visual Prompt" (BIVP), which uses our state-of-the-art molecular detector, MolYOLO, to pre-draw molecular bounding boxes and indices directly onto the input image. This turns the downstream parsing into a natural-language description problem. Extensive experiments show that the BIVP strategy significantly improves structural extraction quality while simplifying model design. We further construct the U-RxnDiagram-15k dataset, an order of magnitude larger than prior real-world literature benchmarks, with a balanced test subset across four layout archetypes. Experiments demonstrate that RxnCaption-VL achieves state-of-the-art performance on multiple metrics. We believe our method, dataset, and models will advance structured information extraction from chemical literature and catalyze broader AI applications in chemistry.
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cs.CV · cs.CL
Proceedings of the IEEE/CVF Conference on Computer Vision and Pattern Recognition · 2026 · 正式发表
This paper introduces UniMERNet, a high-accuracy, computation-efficient algorithm for Mathematical Expression Recognition (MER) across diverse real-world scenarios. To facilitate UniMERNet's training, we constructed UniMER-1M, a million-scale dataset whose unprecedented diversity endows the model with robust generalization ability. Through in-depth analysis, we discover a distinctive raster-scan pattern (left-to-right, top-to-bottom) in the attention distribution of Transformer models for MER tasks, which closely aligns with human reading habits. Based on this key finding, we design an innovative **Raster-Scan Attention** mechanism that employs a "horizontal-first, vertical-second" sequential attention computation strategy. This approach not only successfully reduces computational complexity from \mathcal O (NH^2W^2D) to \mathcal O (NHWD(H + W)) , but also enables the model to capture long-range dependencies more efficiently, achieving recognition performance comparable to global attention. Leveraging both UniMER-1M and our innovative attention mechanism, UniMERNet achieves state-of-the-art performance across four real-world scenarios while significantly reducing computational resources compared to global attention: over **1.2x** memory savings during training, approximately **10x** memory reduction during inference, and **5x** speed with slightly improved accuracy. All resources will be publicly released to advance MER research further.
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cs.CV
Proceedings of the IEEE/CVF Conference on Computer Vision and Pattern Recognition · 2026 · 正式发表