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Modelling, parameter identification, and simulation play an important role in systems biology. Usually, the goal is to determine parameter values that minimise the difference between experimental measurement values and model predictions in…

Mathematical Software · Computer Science 2013-04-10 Thomas Dierkes , Susanna Röblitz , Moritz Wade , Peter Deuflhard

Wearable electronics hold great potential in defining new paradigms of modern healthcare, including personalized health management, precision medicine, and athletic performance optimization. This stems from their ability in enabling…

Biomolecules · Quantitative Biology 2025-12-02 Yuhan Zheng

Process mining enables the reconstruction and evaluation of business processes based on digital traces in IT systems. An increasingly important technique in this context is process prediction. Given a sequence of events of an ongoing trace,…

Machine Learning · Computer Science 2021-06-09 Dominic A. Neu , Johannes Lahann , Peter Fettke

Given an undirected graph representing similarities between a set of items and an additive measure evaluating the items, we treat the position of a special subset of items in an ordinal ranking through a collection of combinatorial…

Data Structures and Algorithms · Computer Science 2026-05-05 Samuel Boardman

In this modern technological era, categorization and ranking of research journals is gaining popularity among researchers and scientists. It plays a significant role for publication of their research findings in a quality journal. Although,…

Digital Libraries · Computer Science 2022-10-07 Rabia Shabbir Ranjha , Arshad Ali , Shahid Yousaf

Label ranking is a prediction task which deals with learning a mapping between an instance and a ranking (i.e., order) of labels from a finite set, representing their relevance to the instance. Boosting is a well-known and reliable ensemble…

Machine Learning · Computer Science 2020-09-24 Lihi Dery , Erez Shmueli

There is a growing awareness of the important roles that microbial communities play in complex biological processes. Modern investigation of these often uses next generation sequencing of metagenomic samples to determine community…

Applications · Statistics 2018-01-25 Adrian Dobra , Camilo Valdes , Dragana Ajdic , Bertrand Clarke , Jennifer Clarke

A key question in clinical practice is accurate prediction of patient prognosis. To this end, nowadays, physicians have at their disposal a variety of tests and biomarkers to aid them in optimizing medical care. These tests are often…

Protein footprinting is a new methodology that is based on probing, typically with the use of mass spectrometry, of reactivity of different aminoacid residues to a modifying reagent. Data thus obtained allow one to make inferences about…

Molecular Networks · Quantitative Biology 2010-12-21 Pasquale Moio , Arman Kulyyassov , Damien Vertut , Luc Camoin , Erlan Ramankulov , Marc Lipinski , Vasily Ogryzko

The Globaltest is a powerful test for the global null hypothesis that there is no association between a group of features and a response of interest, which is popular in pathway testing in metabolomics. Evaluating multiple pathways,…

Methodology · Statistics 2021-02-05 Ningning Xu , Aldo Solari , Jelle Goeman

The ranking problem is to order a collection of units by some unobserved parameter, based on observations from the associated distribution. This problem arises naturally in a number of contexts, such as business, where we may want to rank…

Methodology · Statistics 2016-10-28 Toby Kenney , Hao He , Hong Gu

Detecting and quantifying products of cellular metabolism using Mass Spectrometry (MS) has already shown great promise in many biological and biomedical applications. The biggest challenge in metabolomics is annotation, where measured…

Machine Learning · Computer Science 2020-10-12 Hao Zhu , Liping Liu , Soha Hassoun

Biological organisms are composed of numerous interconnected biochemical processes. Diseases occur when normal functionality of these processes is disrupted. Thus, understanding these biochemical processes and their interrelationships is a…

Artificial Intelligence · Computer Science 2014-03-04 Saadat Anwar

Molecular dynamics (MD) has become a powerful tool for studying biophysical systems, due to increasing computational power and availability of software. Although MD has made many contributions to better understanding these complex…

Computational Physics · Physics 2019-09-27 Yihang Wang , Joao Marcelo Lamim Ribeiro , Pratyush Tiwary

The importance of parameter selection in supervised learning is well known. However, due to the many parameter combinations, an incomplete or an insufficient procedure is often applied. This situation may cause misleading or confusing…

Machine Learning · Computer Science 2021-07-13 Jie-Jyun Liu , Tsung-Han Yang , Si-An Chen , Chih-Jen Lin

The human microbiome is a complex ecological system, and describing its structure and function under different environmental conditions is important from both basic scientific and medical perspectives. Viewed through a biostatistical lens,…

Applications · Statistics 2017-11-17 Kris Sankaran , Susan P. Holmes

Determining whether a molecule can be synthesized is crucial in chemistry and drug discovery, as it guides experimental prioritization and molecule ranking in de novo design tasks. Existing scoring approaches to assess synthetic feasibility…

Machine Learning · Computer Science 2024-10-08 Rebecca M. Neeser , Bruno Correia , Philippe Schwaller

With the advancement in the technology sector spanning over every field, a huge influx of information is inevitable. Among all the opportunities that the advancements in the technology have brought, one of them is to propose efficient…

Information Retrieval · Computer Science 2021-12-14 Sudhanshu , Narinder Singh Punn , Sanjay Kumar Sonbhadra , Sonali Agarwal

Significant progress in many classes of materials could be made with the availability of experimentally-derived large datasets composed of atomic identities and three-dimensional coordinates. Methods for visualizing the local atomic…

Current mathematical frameworks for predicting the flux state and macromolecular composition of the cell do not rely on thermodynamic constraints to determine the spontaneous direction of reactions. These predictions may be biologically…

Optimization and Control · Mathematics 2020-08-14 Amir Akbari , Bernhard O. Palsson