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The predictive accuracy of Machine Learning (ML) models of molecular properties depends on the choice of the molecular representation. Based on the postulates of quantum mechanics, we introduce a hierarchy of representations which meet…

Chemical Physics · Physics 2016-11-23 Bing Huang , O. Anatole von Lilienfeld

DNA microarray technology enables the simultaneous measurement of expression levels of thousands of genes, thereby facilitating the understanding of the molecular mechanisms underlying complex diseases such as brain tumors and the…

Machine Learning · Computer Science 2025-08-29 Emine Akpinar , Batuhan Hangun , Murat Oduncuoglu , Oguz Altun , Onder Eyecioglu , Zeynel Yalcin

Deep Learning (DL) can predict biomarkers from cancer histopathology. Several clinically approved applications use this technology. Most approaches, however, predict categorical labels, whereas biomarkers are often continuous measurements.…

Quantum information technologies, and intelligent learning systems, are both emergent technologies that will likely have a transforming impact on our society. The respective underlying fields of research -- quantum information (QI) versus…

Quantum Physics · Physics 2017-09-11 Vedran Dunjko , Hans J. Briegel

Clinical oncology generates vast, unstructured data that often contain inconsistencies, missing information, and ambiguities, making it difficult to extract reliable insights for data-driven decision-making. General-purpose large language…

Computation and Language · Computer Science 2025-03-12 Morteza Rohanian , Tarun Mehra , Nicola Miglino , Farhad Nooralahzadeh , Michael Krauthammer , Andreas Wicki

Machine Learning (ML) for Ligand Based Virtual Screening (LB-VS) is an important in-silico tool for discovering new drugs in a faster and cost-effective manner, especially for emerging diseases such as COVID-19. In this paper, we propose a…

It is increasingly common clinically for cancer specimens to be examined using techniques that identify somatic mutations. In principle these mutational profiles can be used to diagnose the tissue of origin, a critical task for the 3-5% of…

Methodology · Statistics 2020-07-14 Saptarshi Chakraborty , Colin B. Begg , Ronglai Shen

Artificial Intelligence (AI) technology is based on theory and development of computer systems able to perform tasks that normally require human intelligence. In this context, deep learning is a family of computational methods that allow an…

Computers and Society · Computer Science 2019-05-17 Mario Coccia

Support vector machines and kernel methods are increasingly popular in genomics and computational biology, due to their good performance in real-world applications and strong modularity that makes them suitable to a wide range of problems,…

Quantitative Methods · Quantitative Biology 2007-05-23 Jean-Philippe Vert

Cancers are characterized by remarkable heterogeneity and diverse prognosis. Accurate cancer classification is essential for patient stratification and clinical decision-making. Although digital pathology has been advancing cancer diagnosis…

Computer Vision and Pattern Recognition · Computer Science 2025-02-13 Xiaofei Wang , Hanyu Liu , Yupei Zhang , Boyang Zhao , Hao Duan , Wanming Hu , Yonggao Mou , Stephen Price , Chao Li

Neural networks are computing models that have been leading progress in Machine Learning (ML) and Artificial Intelligence (AI) applications. In parallel, the first small scale quantum computing devices have become available in recent years,…

Quantum Physics · Physics 2021-05-21 Stefano Mangini , Francesco Tacchino , Dario Gerace , Daniele Bajoni , Chiara Macchiavello

With recent advancements in the development of artificial intelligence applications using theories and algorithms in machine learning, many accurate models can be created to train and predict on given datasets. With the realization of the…

Machine Learning · Computer Science 2024-03-29 Pei Xi , Lin

Genomics are rapidly transforming medical practice and basic biomedical research, providing insights into disease mechanisms and improving therapeutic strategies, particularly in cancer. The ability to predict the future course of a…

Neural and Evolutionary Computing · Computer Science 2016-09-29 Safoora Yousefi , Congzheng Song , Nelson Nauata , Lee Cooper

Convolutional Neural Networks have shown promising effectiveness in identifying different types of cancer from radiographs. However, the opaque nature of CNNs makes it difficult to fully understand the way they operate, limiting their…

Image and Video Processing · Electrical Eng. & Systems 2026-03-16 Michael Okonoda , Eder Martinez , Abhilekha Dalal , Lior Shamir

As cyber attacks continue to increase in frequency and sophistication, detecting malware has become a critical task for maintaining the security of computer systems. Traditional signature-based methods of malware detection have limitations…

Cryptography and Security · Computer Science 2024-03-05 Khatoon Mohammed

Brain tumor classification using MRI images is critical in medical diagnostics, where early and accurate detection significantly impacts patient outcomes. While recent advancements in deep learning (DL), particularly CNNs, have shown…

Image and Video Processing · Electrical Eng. & Systems 2025-03-03 Priyam Ganguly , Akhilbaran Ghosh

Quantum machine learning (QML) has emerged as a promising domain to leverage the computational capabilities of quantum systems to solve complex classification tasks. In this work, we present the first comprehensive QML study by benchmarking…

Quantum Physics · Physics 2025-03-21 Gurinder Singh , Hongni Jin , Kenneth M. Merz

Quantum annealing is a promising paradigm for building practical quantum computers. Compared to other approaches, quantum annealing technology has been scaled up to a larger number of qubits. On the other hand, deep learning has been…

Quantum Physics · Physics 2021-07-07 Michele Sasdelli , Tat-Jun Chin

Reliable identification of molecular biomarkers is essential for accurate patient stratification. While state-of-the-art machine learning approaches for sample classification continue to push boundaries in terms of performance, most of…

Molecular Networks · Quantitative Biology 2019-11-07 Matteo Manica , Joris Cadow , Roland Mathis , María Rodríguez Martínez