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Molecule and text representation learning has gained increasing interest due to its potential for enhancing the understanding of chemical information. However, existing models often struggle to capture subtle differences between molecules…

Machine Learning · Computer Science 2025-10-31 Hyuntae Park , Yeachan Kim , SangKeun Lee

Carbon dioxide (CO$_2$) emissions are critical indicators of both environmental impact and various industrial processes, including livestock management. We introduce CarboFormer, a lightweight semantic segmentation framework for Optical Gas…

Computer Vision and Pattern Recognition · Computer Science 2026-05-26 Taminul Islam , Toqi Tahamid Sarker , Mohamed G Embaby , Khaled R Ahmed , Amer AbuGhazaleh

The chemical reaction network (CRN) is a widely used formalism to describe macroscopic behavior of chemical systems. Available tools for CRN modelling and simulation require local access, installation, and often involve local file storage,…

Computational Engineering, Finance, and Science · Computer Science 2015-12-07 Peter Banda , Drew Blount , Christof Teuscher

Audio-Visual Speech Recognition (AVSR) leverages both acoustic and visual cues to improve speech recognition under noisy conditions. A central question is how to design a fusion mechanism that allows the model to effectively exploit visual…

Audio and Speech Processing · Electrical Eng. & Systems 2026-02-10 Seaone Ok , Min Jun Choi , Eungbeom Kim , Seungu Han , Kyogu Lee

This study evaluates four open-source Optical Character Recognition (OCR) systems which are Tesseract, EasyOCR, PaddleOCR, and TrOCR on real world food packaging images. The aim is to assess their ability to extract ingredient lists and…

Computer Vision and Pattern Recognition · Computer Science 2025-10-07 Mayimunah Nagayi , Alice Khan , Tamryn Frank , Rina Swart , Clement Nyirenda

Chemical representation learning has gained increasing interest due to the limited availability of supervised data in fields such as drug and materials design. This interest particularly extends to chemical language representation learning,…

Chemical Physics · Physics 2024-08-06 Jun-Hyung Park , Yeachan Kim , Mingyu Lee , Hyuntae Park , SangKeun Lee

Thin-layer chromatography (TLC) is a crucial technique in molecular polarity analysis. Despite its importance, the interpretability of predictive models for TLC, especially those driven by artificial intelligence, remains a challenge.…

Machine Learning · Computer Science 2024-01-26 Siyu Lou , Chengchun Liu , Yuntian Chen , Fanyang Mo

Ortholog detection (OD) is a critical step for comparative genomic analysis of protein-coding sequences. In this paper, we begin with a comprehensive comparison of four popular, methodologically diverse OD methods: MultiParanoid, Blat,…

Populations and Evolution · Quantitative Biology 2014-04-22 M. Cyrus Maher , Ryan D. Hernandez

Molecular representation learning is pivotal for various molecular property prediction tasks related to drug discovery. Robust and accurate benchmarks are essential for refining and validating current methods. Existing molecular property…

Chemical Physics · Physics 2024-06-27 Shikun Feng , Jiaxin Zheng , Yinjun Jia , Yanwen Huang , Fengfeng Zhou , Wei-Ying Ma , Yanyan Lan

We present MOSAIC, a multi-agent Large Language Model (LLM) framework for solving challenging scientific coding tasks. Unlike general-purpose coding, scientific workflows require algorithms that are rigorous, interconnected with deep domain…

Computation and Language · Computer Science 2026-05-05 Siddeshwar Raghavan , Tanwi Mallick

We present a generator of virtual molecules that selects valid chemistry on the basis of the octet rule. Also, we introduce a mesomer group key that allows a fast detection of duplicates in the generated structures. Compared to existing…

Chemical Physics · Physics 2017-09-21 Rafel Israels , Astrid Maaß , Jan Hamaekers

Remote Sensing Image Captioning (RSIC) is a cross-modal field bridging vision and language, aimed at automatically generating natural language descriptions of features and scenes in remote sensing imagery. Despite significant advances in…

Computer Vision and Pattern Recognition · Computer Science 2025-03-07 Qing Zhou , Tao Yang , Junyu Gao , Weiping Ni , Junzheng Wu , Qi Wang

Large Language Models (LLMs) and their multimodal variants (LVLMs) hold immense promise for scientific and engineering applications, particularly in processing visual information like scientific diagrams. However, their practical deployment…

Computer Vision and Pattern Recognition · Computer Science 2025-08-26 Minghao Zhou , Rafael Souza , Yaqian Hu , Luming Che

Understanding visually situated language requires interpreting complex layouts of textual and visual elements. Pre-processing tools, such as optical character recognition (OCR), can map document image inputs to textual tokens, then large…

Computer Vision and Pattern Recognition · Computer Science 2024-04-03 Wang Zhu , Alekh Agarwal , Mandar Joshi , Robin Jia , Jesse Thomason , Kristina Toutanova

Semi-supervised object detection (SSOD) based on pseudo-labeling significantly reduces dependence on large labeled datasets by effectively leveraging both labeled and unlabeled data. However, real-world applications of SSOD often face…

Computer Vision and Pattern Recognition · Computer Science 2025-03-25 Moussa Kassem Sbeyti , Nadja Klein , Azarm Nowzad , Fikret Sivrikaya , Sahin Albayrak

Every molecule ever synthesised can be drawn as a 2D skeletal diagram, yet in modern property prediction this universally available representation has received less focus in favour of molecular graphs, 3D conformers, or billion-parameter…

Computer Vision and Pattern Recognition · Computer Science 2026-05-12 Aaditya Baranwal , Akshaj Gupta , Shruti Vyas , Yogesh S Rawat

Aims Late diagnosis of Oral Squamous Cell Carcinoma (OSCC) contributes significantly to its high global mortality rate, with over 50\% of cases detected at advanced stages and a 5-year survival rate below 50\% according to WHO statistics.…

Computer Vision and Pattern Recognition · Computer Science 2025-10-07 Ajo Babu George , Sreehari J R Ajo Babu George , Sreehari J R Ajo Babu George , Sreehari J R

Camera-based 3D Semantic Scene Completion (SSC) is a critical task for autonomous driving and robotic scene understanding. It aims to infer a complete 3D volumetric representation of both semantics and geometry from a single image. Existing…

Computer Vision and Pattern Recognition · Computer Science 2026-04-07 Zaidao Han , Risa Higashita , Jiang Liu

Open-Set Classification (OSC) intends to adapt closed-set classification models to real-world scenarios, where the classifier must correctly label samples of known classes while rejecting previously unseen unknown samples. Only recently,…

Computer Vision and Pattern Recognition · Computer Science 2022-10-19 Andres Palechor , Annesha Bhoumik , Manuel Günther

Referring Expression Comprehension (REC) is a popular multimodal task that aims to accurately detect target objects within a single image based on a given textual expression. However, due to the limitations of earlier models, traditional…

Machine Learning · Computer Science 2025-08-21 Guanghao Jin , Jingpei Wu , Tianpei Guo , Yiyi Niu , Weidong Zhou , Guoyang Liu
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