aiqbench analysis
ViCoR introduces a novel "repair-before-rejection" framework using a Vision-Language Model to correct optical chemical structure recognition errors by mapping visual discrepancies directly to graph edits. This approach significantly boosts accuracy in scientific data curation, enabling more reliable downstream applications like reaction prediction without requiring full structural regeneration.
ViCoR: Reliable Molecular Structure Extraction via Spatially Aligned Verification and Executable Revision
arXiv:2609.33603v1 Announce Type: cross Abstract: Reliable optical chemical structure recognition (OCSR) is essential for building high-quality chemical data from scientific literature, yet even small recognition errors can propagate into chemical databases and downstream models. In practice, recognized structures often require manual inspection and correction before use, making large-scale data curation costly and difficult to scale. We therefore study Selective Structure Recognition (SSR), a post-recognition setting that automatically produces reliable structured outputs while rejecting unresolved cases. Selection-only approaches can improve reliability by rejection, but cannot create additional correct outputs beyond those produced by the base recognizer. We propose ViCoR, a repair-before-rejection framework for iterative VerIfiCatiOn and Revision. Its key idea is to make observation-prediction correspondence explicit: coordinate-preserving rendering establishes spatial correspondence between the source image and predicted structure, while index anchoring maps localized visual discrepancies to executable graph edits without full-structure regeneration. A shared VLM is progressively trained from verification to revision. On two real-world OCSR benchmarks, ViCoR improves overall accuracy from 73.53\% to 88.26\% and from 61.83\% to 84.32\%, while achieving over 97\% accepted accuracy at 85--89\% coverage. The resulting molecular data further improve reaction-extraction F1 by 15.5 points and literature-sourced reaction prediction accuracy by 7.7 and 5.8 points, demonstrating the value of automated reliability control for scientific data curation and downstream chemical learning.
Abstract:Reliable optical chemical structure recognition (OCSR) is essential for building high-quality chemical data from scientific literature, yet even small recognition errors can propagate into chemical databases and downstream models. In practice, recognized structures often require manual inspection and correction before use, making large-scale data curation costly and difficult to scale. We therefore study Selective Structure Recognition (SSR), a post-recognition setting that automatically produces reliable structured outputs while rejecting unresolved cases. Selection-only approaches can improve reliability by rejection, but cannot create additional correct outputs beyond those produced by the base recognizer. We propose ViCoR, a repair-before-rejection framework for iterative VerIfiCatiOn and Revision. Its key idea is to make observation-prediction correspondence explicit: coordinate-preserving rendering establishes spatial correspondence between the source image and predicted structure, while index anchoring maps localized visual discrepancies to executable graph edits without full-structure regeneration. A shared VLM is progressively trained from verification to revision. On two real-world OCSR benchmarks, ViCoR improves overall accuracy from 73.53\% to 88.26\% and from 61.83\% to 84.32\%, while achieving over 97\% accepted accuracy at 85--89\% coverage. The resulting molecular data further improve reaction-extraction F1 by 15.5 points and literature-sourced reaction prediction accuracy by 7.7 and 5.8 points, demonstrating the value of automated reliability control for scientific data curation and downstream chemical learning.
Computer Vision and Pattern Recognition (cs.CV); Artificial Intelligence (cs.AI)
arXiv:2609.33603 [cs.CV]
(or arXiv:2609.33603v1 [cs.CV] for this version)
https://doi.org/10.48550/arXiv.2609.33603 Focus to learn more arXiv-issued DOI via DataCite (pending registration)
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Full text under the publisher's open licence · 309 words
