MolMole: Molecule Mining from Scientific Literature

The extraction of molecular structures and reaction data from scientific documents is challenging due to their varied, unstructured chemical formats and complex document layouts. To address this, we introduce MolMole, a vision-based deep learning framework that unifies molecule detection, reaction diagram parsing, and optical chemical structure recognition (OCSR) into a single pipeline for automating the extraction of chemical data directly from page-level documents. Recognizing the lack of a standard page-level benchmark and evaluation metric, we also present a testset of 550 pages annotated with molecule bounding boxes, reaction labels, and MOLfiles, along with a novel evaluation metric. Experimental results demonstrate that MolMole outperforms existing toolkits on both our benchmark and public datasets. The benchmark testset will be publicly available, and the MolMole toolkit will be accessible soon through an interactive demo on the LG AI Research website. For commercial inquiries, please contact us at \href{mailto:contact_ddu@lgresearch.ai}{contact\_ddu@lgresearch.ai}.

ReConPatch : Contrastive Patch Representation Learning for Industrial Anomaly Detection

Anomaly detection is crucial to the advanced identification of product defects such as incorrect parts, misaligned components, and damages in industrial manufacturing. Due to the rare observations and unknown types of defects, anomaly detection is considered to be challenging in machine learning. To overcome this difficulty, recent approaches utilize the common visual representations from natural image datasets and distill the relevant features. However, existing approaches still have the discrepancy between the pre-trained feature and the target data, or require the input augmentation which should be carefully designed particularly for the industrial dataset. In this paper, we introduce ReConPatch, which constructs discriminative features for anomaly detection by training a linear modulation attached to a pre-trained model. ReConPatch employs contrastive representation learning to collect and distribute features in a way that produces a target-oriented and easily separable representation. To address the absence of labeled pairs for the contrastive learning, we utilize two similarity measures, pairwise and contextual similarities, between data representations as a pseudo-label. Unlike previous work, ReConPatch achieves robust anomaly detection performance without extensive input augmentation. Our method achieves the state-of-the-art anomaly detection performance (99.72%) for the widely used and challenging MVTec AD dataset.