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Gene selection plays a pivotal role in oncology research for improving outcome prediction accuracy and facilitating cost-effective genomic profiling for cancer patients. This paper introduces two gene selection strategies for deep…

Genomics · Quantitative Biology 2024-03-05 Akhila Krishna , Ravi Kant Gupta , Pranav Jeevan , Amit Sethi

High throughput genome sequencing technologies such as RNA-Seq and Microarray have the potential to transform clinical decision making and biomedical research by enabling high-throughput measurements of the genome at a granular level.…

Linear mixed models are widely used for clustered data, but their reliance on parametric forms limits flexibility in complex and high-dimensional settings. In contrast, gradient boosting methods achieve high predictive accuracy through…

Machine Learning · Statistics 2025-11-04 Mitchell L. Prevett , Francis K. C. Hui , Zhi Yang Tho , A. H. Welsh , Anton H. Westveld

Designing composite materials as per the application requirements is fundamentally a challenging and time consuming task. Here we report the development of a deep neural network based computational framework capable of solving the forward…

Materials Science · Physics 2022-09-14 Ashank , Soumen Chakravarty , Pranshu Garg , Ankit Kumar , Manish Agrawal , Prabhat K. Agnihotri

Artificial neural networks show promising performance in detecting correlations within data that are associated with specific outcomes. However, the black-box nature of such models can hinder the knowledge advancement in research fields by…

Machine Learning · Computer Science 2023-10-09 Jonas C. Ditz , Bernhard Reuter , Nico Pfeifer

We propose a Gradient Boosting algorithm for learning an ensemble of kernel functions adapted to the task at hand. Unlike state-of-the-art Multiple Kernel Learning techniques that make use of a pre-computed dictionary of kernel functions to…

Machine Learning · Statistics 2019-06-17 Léo Gautheron , Pascal Germain , Amaury Habrard , Emilie Morvant , Marc Sebban , Valentina Zantedeschi

Quantum Support Vector Machines (QSVM) have become an important tool in research and applications of quantum kernel methods. In this work we propose a boosting approach for building ensembles of QSVM models and assess performance…

We propose a novel approach for using unsupervised boosting to create an ensemble of generative models, where models are trained in sequence to correct earlier mistakes. Our meta-algorithmic framework can leverage any existing base learner…

Machine Learning · Computer Science 2017-12-25 Aditya Grover , Stefano Ermon

We propose a method for gene expression based analysis of cancer phenotypes incorporating network biology knowledge through unsupervised construction of computational graphs. The structural construction of the computational graphs is driven…

Molecular Networks · Quantitative Biology 2020-10-02 Paul Scherer , Maja Trȩbacz , Nikola Simidjievski , Zohreh Shams , Helena Andres Terre , Pietro Liò , Mateja Jamnik

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

This paper surveys the data-driven dose prediction approaches introduced for knowledge-based planning (KBP) in the last decade. These methods were classified into two major categories according to their methods and techniques of utilizing…

We present a new experimental-computational technology of inferring network models that predict the response of cells to perturbations and that may be useful in the design of combinatorial therapy against cancer. The experiments are…

Recent breakthroughs in generative modeling have demonstrated remarkable capabilities in molecular generation, yet the integration of comprehensive biomedical knowledge into these models has remained an untapped frontier. In this study, we…

Machine Learning · Computer Science 2025-10-14 Aditya Malusare , Vineet Punyamoorty , Vaneet Aggarwal

Cancer diagnosis and prognosis primarily depend on clinical parameters such as age and tumor grade, and are increasingly complemented by molecular data, such as gene expression, from tumor sequencing. However, sequencing is costly and…

Computer Vision and Pattern Recognition · Computer Science 2025-01-27 Max Hallemeesch , Marija Pizurica , Paloma Rabaey , Olivier Gevaert , Thomas Demeester , Kathleen Marchal

Motivation: Identifying the molecular pathways more prone to disruption during a pathological process is a key task in network medicine and, more in general, in systems biology. Results: In this work we propose a pipeline that couples a…

Kernel methods have been extensively utilized in machine learning for classification and prediction tasks due to their ability to capture complex non-linear data patterns. However, single kernel approaches are inherently limited, as they…

Machine Learning · Computer Science 2026-02-12 Qiyuan Shi , Jian Kang , Yi Li

We propose a systematic framework to conduct design-technology pathfinding for PPAC in advanced nodes. Our goal is to provide configurable, scalable generation of process design kit (PDK) and standard-cell library, spanning key scaling…

Hardware Architecture · Computer Science 2023-04-27 Suhyeong Choi , Jinwook Jung , Andrew B. Kahng , Minsoo Kim , Chul-Hong Park , Bodhisatta Pramanik , Dooseok Yoon

In the drug discovery process, where experiments can be costly and time-consuming, computational models that predict drug-target interactions are valuable tools to accelerate the development of new therapeutic agents. Estimating the…

Machine Learning · Computer Science 2024-07-22 Hannah Rosa Friesacher , Ola Engkvist , Lewis Mervin , Yves Moreau , Adam Arany

Predicting interactions between small molecules and proteins is a crucial ingredient of the drug discovery process. In particular, accurate predictive models are increasingly used to preselect potential lead compounds from large molecule…

Quantitative Methods · Quantitative Biology 2007-09-26 Laurent Jacob , Jean-Philippe Vert

Excess hazard modeling is one of the main tools in population-based cancer survival research. Indeed, this setting allows for direct modeling of the survival due to cancer even in the absence of reliable information on the cause of death,…

Methodology · Statistics 2022-04-12 A. Eletti , G. Marra , M. Quaresma , R. Radice , F. J. Rubio