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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…

机器学习 · 计算机科学 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…

计算机视觉与模式识别 · 计算机科学 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…

机器学习 · 计算机科学 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…

量子物理 · 物理学 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…

量子物理 · 物理学 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…

量子物理 · 物理学 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…

计算机视觉与模式识别 · 计算机科学 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…

量子物理 · 物理学 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…

计算与语言 · 计算机科学 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…

机器学习 · 计算机科学 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)…

量子物理 · 物理学 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…

计算机视觉与模式识别 · 计算机科学 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…

量子物理 · 物理学 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…

机器学习 · 计算机科学 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…

计算机视觉与模式识别 · 计算机科学 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…

量子物理 · 物理学 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…

化学物理 · 物理学 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…

机器学习 · 计算机科学 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…

机器学习 · 计算机科学 2025-07-01 Chi-Sheng Chen