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Chemists in search of structure-property relationships face great challenges due to limited high quality, concordant datasets. Machine learning (ML) has significantly advanced predictive capabilities in chemical sciences, but these modern…

Machine Learning · Computer Science 2025-09-18 Yulia Pimonova , Michael G. Taylor , Alice Allen , Ping Yang , Nicholas Lubbers

Automatic modulation recognition (AMR) is a crucial step in wireless communication systems, which identifies the modulation scheme from detected signals to provide key information for further processing. However, previous work has mainly…

Signal Processing · Electrical Eng. & Systems 2025-12-01 Yunpeng Qu , Yazhou Sun , Bingyu Hui , Jian Wang

Remote sensing (RS) scene classification is a challenging task to predict scene categories of RS images. RS images have two main characters: large intra-class variance caused by large resolution variance and confusing information from large…

Computer Vision and Pattern Recognition · Computer Science 2022-01-11 Qi Zhao , Shuchang Lyu , Yuewen Li , Yujing Ma , Lijiang Chen

How to learn a discriminative fine-grained representation is a key point in many computer vision applications, such as person re-identification, fine-grained classification, fine-grained image retrieval, etc. Most of the previous methods…

Computer Vision and Pattern Recognition · Computer Science 2019-12-23 Kai Han , Jianyuan Guo , Chao Zhang , Mingjian Zhu

Fine-grained fashion retrieval searches for items that share a similar attribute with the query image. Most existing methods use a pre-trained feature extractor (e.g., ResNet 50) to capture image representations. However, a pre-trained…

Computer Vision and Pattern Recognition · Computer Science 2024-04-29 Ling Xiao , Toshihiko Yamasaki

Recent machine learning models to accurately obtain gas adsorption isotherms focus on polymers or metal-organic frameworks (MOFs) separately. The difficulty in creating a unified model that can predict the adsorption trends in both types of…

Soft Condensed Matter · Physics 2024-07-01 Subhadeep Dasgupta , Amal R S , Prabal K. Maiti

We report an interpretation method for deep learning models that allows us to handle high-dimensional spectral data in materials science. The proposed method uses feature extraction and clustering analysis to categorize materials into…

Materials Science · Physics 2025-10-21 Akira Takahashi , Yu Kumagai , Arata Takamatsu , Fumiyasu Oba

Building interpretation from remote sensing imagery primarily involves two fundamental tasks: building extraction and change detection. However, most existing methods address these tasks independently, overlooking their inherent correlation…

Computer Vision and Pattern Recognition · Computer Science 2025-04-02 Dehua Huo , Weida Zhan , Jinxin Guo , Depeng Zhu , Yu Chen , YiChun Jiang , Yueyi Han , Deng Han , Jin Li

Data analysis that uses the output of topological data analysis as input for machine learning algorithms has been the subject of extensive research. This approach offers a means of capturing the global structure of data. Persistent homology…

Machine Learning · Computer Science 2023-10-17 Naofumi Hama

Fine-grained recognition of marine organisms is important for ecological research, biodiversity monitoring, habitat conservation, and evidence-based policy-making. However, many existing approaches primarily rely on object- or ROI-centered…

Computer Vision and Pattern Recognition · Computer Science 2026-05-29 Donghwan Lee , Byeongjin Kim , Geunhee Kim , Hyukjin Kwon , Nahyeon Maeng , Wooju Kim

Fine-grained visual classification is a challenging task due to the high similarity between categories and distinct differences among data within one single category. To address the challenges, previous strategies have focused on localizing…

Computer Vision and Pattern Recognition · Computer Science 2023-04-26 Po-Yung Chou , Yu-Yung Kao , Cheng-Hung Lin

Predicting molecular properties (e.g., atomization energy) is an essential issue in quantum chemistry, which could speed up much research progress, such as drug designing and substance discovery. Traditional studies based on density…

Computational Physics · Physics 2019-08-20 Chengqiang Lu , Qi Liu , Chao Wang , Zhenya Huang , Peize Lin , Lixin He

Feature engineering is mandatory in the machine learning pipeline to obtain robust models. While evolutionary computation is well-known for its great results both in feature selection and feature construction, its methods are…

Machine Learning · Computer Science 2025-03-28 João Eduardo Batista

We investigate the application of hierarchical classification schemes to the annotation of gene function based on several characteristics of protein sequences including phylogenic descriptors, sequence based attributes, and predicted…

Genomics · Quantitative Biology 2007-05-23 Babak Shahbaba , Radford M. Neal

Graph-level anomaly detection aims to identify abnormal graphs that exhibit deviant structures and node attributes compared to the majority in a graph set. One primary challenge is to learn normal patterns manifested in both fine-grained…

Machine Learning · Computer Science 2023-07-04 Chaoxi Niu , Guansong Pang , Ling Chen

Breast cancer is one of the leading causes of death globally, and thus there is an urgent need for early and accurate diagnostic techniques. Although ultrasound imaging is a widely used technique for breast cancer screening, it faces…

Image and Video Processing · Electrical Eng. & Systems 2025-02-11 Pandiyaraju V , Shravan Venkatraman , Pavan Kumar S , Santhosh Malarvannan , Kannan A

In recent years, monocular depth estimation is applied to understand the surrounding 3D environment and has made great progress. However, there is an ill-posed problem on how to gain depth information directly from a single image. With the…

Computer Vision and Pattern Recognition · Computer Science 2021-07-15 Meiqi Pei

The challenges in feature selection, particularly in balancing model accuracy, interpretability, and computational efficiency, remain a critical issue in advancing machine learning methodologies. To address these complexities, this study…

Machine Learning · Computer Science 2026-01-06 Nachiket Kapure , Harsh Joshi , Parul Kumari , Rajeshwari Mistri , Manasi Mali

Multispectral pedestrian detection has been shown to be effective in improving performance within complex illumination scenarios. However, prevalent double-stream networks in multispectral detection employ two separate feature extraction…

Computer Vision and Pattern Recognition · Computer Science 2026-03-30 Zizhao Chen , Yeqiang Qian , Xiaoxiao Yang , Chunxiang Wang , Ming Yang

The quest for accurate prediction of drug molecule properties poses a fundamental challenge in the realm of Artificial Intelligence Drug Discovery (AIDD). An effective representation of drug molecules emerges as a pivotal component in this…

Machine Learning · Computer Science 2024-04-22 Zhuoyuan Wang , Jiacong Mi , Shan Lu , Jieyue He