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Accurately predicting molecular properties is a challenging but essential task in drug discovery. Recently, many mono-modal deep learning methods have been successfully applied to molecular property prediction. However, the inherent…

Machine Learning · Computer Science 2024-09-16 Xiaohua Lu , Liangxu Xie , Lei Xu , Rongzhi Mao , Shan Chang , Xiaojun Xu

We present a unified vision-language framework tailored for ENT endoscopy image analysis that simultaneously tackles three clinically-relevant tasks: image classification, image-to-image retrieval, and text-to-image retrieval. Unlike…

Computer Vision and Pattern Recognition · Computer Science 2025-09-03 Y Hop Nguyen , Doan Anh Phan Huu , Trung Thai Tran , Nhat Nam Mai , Van Toi Giap , Thao Thi Phuong Dao , Trung-Nghia Le

Virtual screening plays a critical role in modern drug discovery by enabling the identification of promising candidate molecules for experimental validation. Traditional machine learning methods such, as Support Vector Machines (SVM) and…

Machine Learning · Computer Science 2025-04-29 Radia Berreziga , Mohammed Brahimi , Khairedine Kraim , Hamid Azzoune

Quantum machine learning (QML) is an emerging field that investigates the capabilities of quantum computers for learning tasks. While QML models can theoretically offer advantages such as exponential speed-ups, challenges in data loading…

Quantum Physics · Physics 2025-11-03 Florian J. Kiwit , Bernhard Jobst , Andre Luckow , Frank Pollmann , Carlos A. Riofrío

With the maturation of quantum computing technology, research has gradually shifted towards exploring its applications. Alongside the rise of artificial intelligence, various machine learning methods have been developed into quantum…

Quantum Physics · Physics 2025-03-14 Abel C. H. Chen

Feature selection is critical in machine learning to reduce dimensionality and improve model accuracy and efficiency. The exponential growth in feature space dimensionality for modern datasets directly results in ambiguous samples and…

Quantum Physics · Physics 2023-11-30 Haiyan Wang

In this paper, we propose an image quality transformer (IQT) that successfully applies a transformer architecture to a perceptual full-reference image quality assessment (IQA) task. Perceptual representation becomes more important in image…

Computer Vision and Pattern Recognition · Computer Science 2021-05-06 Manri Cheon , Sung-Jun Yoon , Byungyeon Kang , Junwoo Lee

Interest in quantum machine learning is increasingly growing due to its potential to offer more efficient solutions for problems that are difficult to tackle with classical methods. In this context, the research work presented here focuses…

Quantum Physics · Physics 2025-04-11 A. De Lorenzis , M. P. Casado , M. P. Estarellas , N. Lo Gullo , T. Lux , F. Plastina , A. Riera , J. Settino

Quantum machine learning is a promising direction for building more efficient and expressive models, particularly in domains where understanding complex, structured data is critical. We present the Quantum Graph Transformer (QGT), a hybrid…

Computation and Language · Computer Science 2025-06-10 Shamminuj Aktar , Andreas Bärtschi , Abdel-Hameed A. Badawy , Stephan Eidenbenz

Contemporary graph learning algorithms are not well-defined for large molecules since they do not consider the hierarchical interactions among the atoms, which are essential to determine the molecular properties of macromolecules. In this…

Machine Learning · Computer Science 2023-08-02 Nhat Khang Ngo , Truong Son Hy , Risi Kondor

In this work, quantum transformers are designed and analysed in detail by extending the state-of-the-art classical transformer neural network architectures known to be very performant in natural language processing and image analysis.…

Quantum kernel methods, i.e., kernel methods with quantum kernels, offer distinct advantages as a hybrid quantum-classical approach to quantum machine learning (QML), including applicability to Noisy Intermediate-Scale Quantum (NISQ)…

Quantum Physics · Physics 2022-11-29 Daniel T. Chang

Multilayer Extreme Learning Machine (ML-ELM) and its variants have proven to be an effective technique for the classification of different natural signals such as audio, video, acoustic and images. In this paper, a Hybrid Multilayer Extreme…

Computer Vision and Pattern Recognition · Computer Science 2025-07-14 Rolando A. Hernandez-Hernandez , Adrian Rubio-Solis

Quantum computing has the potential to solve problems that are intractable for classical systems, yet the high error rates in contemporary quantum devices often exceed tolerable limits for useful algorithm execution. Quantum Error…

Quantum Physics · Physics 2023-11-28 Hanrui Wang , Pengyu Liu , Kevin Shao , Dantong Li , Jiaqi Gu , David Z. Pan , Yongshan Ding , Song Han

Molecular Representation Learning is essential to solving many drug discovery and computational chemistry problems. It is a challenging problem due to the complex structure of molecules and the vast chemical space. Graph representations of…

Machine Learning · Computer Science 2023-01-18 Atia Hamidizadeh , Tony Shen , Martin Ester

Multimodal representation learning has demonstrated remarkable potential in enabling models to process and integrate diverse data modalities, such as text and images, for improved understanding and performance. While the medical domain can…

Computer Vision and Pattern Recognition · Computer Science 2025-03-04 Shuvendu Roy , Franklin Ogidi , Ali Etemad , Elham Dolatabadi , Arash Afkanpour

Quantum entanglement plays a pivotal role in various quantum information processing tasks. However, there still lacks a universal and effective way to detecting entanglement structures, especially for high-dimensional and multipartite…

Quantum Physics · Physics 2024-07-23 Rui Li , Junling Du , Zheng Qin , Shikun Zhang , Chunxiao Du , Yang Zhou , Zhisong Xiao

We introduce an electronic structure based representation for quantum machine learning (QML) of electronic properties throughout chemical compound space. The representation is constructed using computationally inexpensive ab initio…

Chemical Physics · Physics 2022-03-17 Konstantin Karandashev , O. Anatole von Lilienfeld

Capturing molecular knowledge with representation learning approaches holds significant potential in vast scientific fields such as chemistry and life science. An effective and generalizable molecular representation is expected to capture…

Machine Learning · Computer Science 2024-06-17 Yizhen Luo , Kai Yang , Massimo Hong , Xing Yi Liu , Zikun Nie , Hao Zhou , Zaiqing Nie

Recent advancements in quantum machine learning have shown promise in enhancing classical neural network architectures, particularly in domains involving complex, high-dimensional data. Building upon prior work in temporal sequence…

Machine Learning · Computer Science 2025-07-01 Chi-Sheng Chen