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In recent decades, chemistry publications and patents have increased rapidly. A significant portion of key information is embedded in molecular structure figures, complicating large-scale literature searches and limiting the application of…

Computer Vision and Pattern Recognition · Computer Science 2025-09-22 Xi Fang , Jiankun Wang , Xiaochen Cai , Shangqian Chen , Shuwen Yang , Haoyi Tao , Nan Wang , Lin Yao , Linfeng Zhang , Guolin Ke

Nanoparticles occur in various environments as a consequence of man-made processes, which raises concerns about their impact on the environment and human health. To allow for proper risk assessment, a precise and statistically relevant…

Deep learning is catalyzing a scientific revolution fueled by big data, accessible toolkits, and powerful computational resources, impacting many fields including protein structural modeling. Protein structural modeling, such as predicting…

Biomolecules · Quantitative Biology 2020-07-17 Wenhao Gao , Sai Pooja Mahajan , Jeremias Sulam , Jeffrey J. Gray

Accurate detection and segmentation of anatomical structures from ultrasound images are crucial for clinical diagnosis and biometric measurements. Although ultrasound imaging has been widely used with superiorities such as low cost and…

Computer Vision and Pattern Recognition · Computer Science 2016-07-08 Hao Chen , Yefeng Zheng , Jin-Hyeong Park , Pheng-Ann Heng , S. Kevin Zhou

High-level shape understanding and technique evaluation on large repositories of 3D shapes often benefit from additional information known about the shapes. One example of such information is the semantic segmentation of a shape into…

Computer Vision and Pattern Recognition · Computer Science 2018-07-18 David George , Xianguha Xie , Yu-Kun Lai , Gary KL Tam

Molecular dynamics simulations are an important tool for describing the evolution of a chemical system with time. However, these simulations are inherently held back either by the prohibitive cost of accurate electronic structure theory…

Chemical Physics · Physics 2018-12-20 Michael Gastegger , Philipp Marquetand

Applying machine learning technologies, especially deep learning, into medical image segmentation is being widely studied because of its state-of-the-art performance and results. It can be a key step to provide a reliable basis for clinical…

Image and Video Processing · Electrical Eng. & Systems 2021-03-08 Ziyang Wang

Segmentation has been a major task in neuroimaging. A large number of automated methods have been developed for segmenting healthy and diseased brain tissues. In recent years, deep learning techniques have attracted a lot of attention as a…

Image and Video Processing · Electrical Eng. & Systems 2019-07-05 Jimit Doshi , Guray Erus , Mohamad Habes , Christos Davatzikos

Recording atomic-resolution transmission electron microscopy (TEM) images is becoming increasingly routine. A new bottleneck is then analyzing this information, which often involves time-consuming manual structural identification. We have…

Accurate extraction of key information from 2D engineering drawings is crucial for high-precision manufacturing. Manual extraction is slow and labor-intensive, while traditional Optical Character Recognition (OCR) techniques often struggle…

Computer Vision and Pattern Recognition · Computer Science 2025-09-04 Muhammad Tayyab Khan , Zane Yong , Lequn Chen , Jun Ming Tan , Wenhe Feng , Seung Ki Moon

Table extraction from PDF and image documents is a ubiquitous task in the real-world. Perfect extraction quality is difficult to achieve with one single out-of-box model due to (1) the wide variety of table styles, (2) the lack of training…

Human-Computer Interaction · Computer Science 2021-02-18 Nancy Xin Ru Wang , Douglas Burdick , Yunyao Li

The revolution in materials in the past century was built on a knowledge of the atomic arrangements and the structure-property relationship. The sine qua non for obtaining quantitative structural information is single crystal…

Computational Physics · Physics 2023-12-27 Gabe Guo , Judah Goldfeder , Ling Lan , Aniv Ray , Albert Hanming Yang , Boyuan Chen , Simon JL Billinge , Hod Lipson

The prediction of molecular properties is a crucial task in the field of material and drug discovery. The potential benefits of using deep learning techniques are reflected in the wealth of recent literature. Still, these techniques are…

Machine Learning · Computer Science 2023-09-06 Minghao Guo , Veronika Thost , Samuel W Song , Adithya Balachandran , Payel Das , Jie Chen , Wojciech Matusik

Document image segmentation is crucial for document analysis and recognition but remains challenging due to the diversity of document formats and segmentation tasks. Existing methods often address these tasks separately, resulting in…

Computer Vision and Pattern Recognition · Computer Science 2025-04-08 Xiao-Hui Li , Fei Yin , Cheng-Lin Liu

Optical Chemical Structure Recognition (OCSR) is critical for converting 2D molecular diagrams from printed literature into machine-readable formats. While Vision-Language Models have shown promise in end-to-end OCR tasks, their direct…

Computer Vision and Pattern Recognition · Computer Science 2026-04-22 Haocheng Tang , Xingyu Dang , Junmei Wang

The digitization of historical maps enables the study of ancient, fragile, unique, and hardly accessible information sources. Main map features can be retrieved and tracked through the time for subsequent thematic analysis. The goal of this…

Computer Vision and Pattern Recognition · Computer Science 2021-01-07 Yizi Chen , Edwin Carlinet , Joseph Chazalon , Clément Mallet , Bertrand Duménieu , Julien Perret

Cutting edge deep learning techniques allow for image segmentation with great speed and accuracy. However, application to problems in materials science is often difficult since these complex models may have difficultly learning physical…

Image and Video Processing · Electrical Eng. & Systems 2019-12-13 James P. Horwath , Dmitri N. Zakharov , Remi Megret , Eric A. Stach

Virtual screening can accelerate drug discovery by identifying promising candidates for experimental evaluation. Machine learning is a powerful method for screening, as it can learn complex structure-property relationships from experimental…

Machine Learning · Computer Science 2021-02-22 Simon Axelrod , Rafael Gomez-Bombarelli

Deep learning based image segmentation methods have achieved great success, even having human-level accuracy in some applications. However, due to the black box nature of deep learning, the best method may fail in some situations. Thus…

Computer Vision and Pattern Recognition · Computer Science 2020-05-28 Leixin Zhou , Wenxiang Deng , Xiaodong Wu

The first phase of table recognition is to detect the tabular area in a document. Subsequently, the tabular structures are recognized in the second phase in order to extract information from the respective cells. Table detection and…

Computer Vision and Pattern Recognition · Computer Science 2021-05-11 Khurram Azeem Hashmi , Marcus Liwicki , Didier Stricker , Muhammad Adnan Afzal , Muhammad Ahtsham Afzal , Muhammad Zeshan Afzal
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