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Recently, there has been a resurgence of interest in rigorous algorithms for the inference of cancer progression from genomic data. The motivations are manifold: (i) growing NGS and single cell data from cancer patients, (ii) need for novel…

Machine Learning · Computer Science 2016-02-25 Daniele Ramazzotti

We introduce a machine-learning (ML) framework for high-throughput benchmarking of diverse representations of chemical systems against datasets of materials and molecules. The guiding principle underlying the benchmarking approach is to…

Machine Learning · Computer Science 2021-12-07 Carl Poelking , Felix A. Faber , Bingqing Cheng

To interpret the genetic profile present in a patient sample, it is necessary to know which mutations have important roles in the development of the corresponding cancer type. Named entity recognition is a core step in the text mining…

Computation and Language · Computer Science 2021-06-16 Jiarun Cao , Elke M van Veen , Niels Peek , Andrew G Renehan , Sophia Ananiadou

Acute Myeloid Leukemia (AML) is one of the most aggressive types of hematological neoplasm. To support the specialists' decision about the appropriate therapy, patients with AML receive a prognostic of outcomes according to their…

Machine Learning · Computer Science 2024-05-30 Jade M. Almeida , Giovanna A. Castro , João A. Machado-Neto , Tiago A. Almeida

We propose the Limited Multi-Label (LML) projection layer as a new primitive operation for end-to-end learning systems. The LML layer provides a probabilistic way of modeling multi-label predictions limited to having exactly k labels. We…

Machine Learning · Computer Science 2019-10-15 Brandon Amos , Vladlen Koltun , J. Zico Kolter

Machine learning (ML) has been playing important roles in drug discovery in the past years by providing (pre-)screening tools for prioritising chemical compounds to pass through wet lab experiments. One of the main ML tasks in drug…

Biomolecules · Quantitative Biology 2025-02-25 Alex G. C. de Sá , David B. Ascher

We propose a systematic methodology to identify the topological phase transition through a self-supervised machine learning model, which is trained to correlate system parameters to the non-local observables in time-of-flight experiments of…

Quantum Gases · Physics 2021-09-01 Chi-Ting Ho , Daw-Wei Wang

Lung cancer is a condition where there is abnormal growth of malignant cells that spread in an uncontrollable fashion in the lungs. Some common treatment strategies are surgery, chemotherapy, and radiation which aren't the best options due…

Computer Vision and Pattern Recognition · Computer Science 2026-03-18 Ann Rachel , Pranav M Pawar , Mithun Mukharjee , Raja M , Tojo Mathew

The use of machine learning (ML) algorithms has significantly increased in neuroscience. However, from the vast extent of possible ML algorithms, which one is the optimal model to predict the target variable? What are the hyperparameters…

Metaproteomics are becoming widely used in microbiome research for gaining insights into the functional state of the microbial community. Current metaproteomics studies are generally based on high-throughput tandem mass spectrometry (MS/MS)…

Quantitative Methods · Quantitative Biology 2020-09-24 Xuan Guo , Shichao Feng

Adequately generating and evaluating prediction models based on supervised machine learning (ML) is often challenging, especially for less experienced users in applied research areas. Special attention is required in settings where the…

The proliferation of early diagnostic technologies, including self-monitoring systems and wearables, coupled with the application of these technologies on large segments of healthy populations may significantly aggravate the problem of…

Machine Learning · Computer Science 2021-07-23 Anna Fedyukova , Douglas Pires , Daniel Capurro

Protein contacts provide key information for the understanding of protein structure and function, and therefore contact prediction from sequences is an important problem. Recent research shows that some correctly predicted long-range…

Quantitative Methods · Quantitative Biology 2020-09-02 Siqi Sun

Background and Purpose: Convolutional neural network is widely used for image recognition in the medical area at nowadays. However, overall accuracy in predicting lung tumor is low and the processing time is high as the error occurred while…

Image and Video Processing · Electrical Eng. & Systems 2022-08-15 Bhoj Raj Pandit , Abeer Alsadoon , P. W. C. Prasad , Sarmad Al Aloussi , Tarik A. Rashid , Omar Hisham Alsadoon , Oday D. Jerew

Predicting molecular properties is a critical component of drug discovery. Recent advances in deep learning, particularly Graph Neural Networks (GNNs), have enabled end-to-end learning from molecular structures, reducing reliance on manual…

Computation and Language · Computer Science 2025-09-26 Peng Zhou , Lai Hou Tim , Zhixiang Cheng , Kun Xie , Chaoyi Li , Wei Liu , Xiangxiang Zeng

The process of identifying and characterizing B-cell epitopes, which are the portions of antigens recognized by antibodies, is important for our understanding of the immune system, and for many applications including vaccine development,…

Quantitative Methods · Quantitative Biology 2025-12-10 Xiao Yuan

This paper explores a top-down approach to automating incremental advances in machine learning research through component-level innovation, facilitated by Large Language Models (LLMs). Our framework systematically generates novel…

Machine Learning · Computer Science 2024-09-10 Shervin Ardeshir

Purpose: To determine whether deep learning models can distinguish between breast cancer molecular subtypes based on dynamic contrast-enhanced magnetic resonance imaging (DCE-MRI). Materials and methods: In this institutional review…

Computer Vision and Pattern Recognition · Computer Science 2017-12-01 Zhe Zhu , Ehab Albadawy , Ashirbani Saha , Jun Zhang , Michael R. Harowicz , Maciej A. Mazurowski

This paper primarily addresses a dataset relating to cellular, chemical and physical conditions of patients gathered at the time they are operated upon to remove colorectal tumours. This data provides a unique insight into the biochemical…

Machine Learning · Computer Science 2016-11-17 Christopher Roadknight , Durga Suryanarayanan , Uwe Aickelin , John Scholefield , Lindy Durrant

Machine learning (ML) has revolutionized medical prognostics by integrating advanced algorithms with clinical data to enhance disease prediction, risk assessment, and patient outcome forecasting. This comprehensive review critically…

Machine Learning · Computer Science 2024-08-06 Michael Fascia