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Simulation Optimization (SO) refers to the optimization of an objective function subject to constraints, both of which can be evaluated through a stochastic simulation. To address specific features of a particular simulation---discrete or…

Data Structures and Algorithms · Computer Science 2017-06-28 Satyajith Amaran , Nikolaos V. Sahinidis , Bikram Sharda , Scott J. Bury

Background: The surge in single-cell omics data exposes limitations in traditional, manually defined analysis workflows. AI agents offer a paradigm shift, enabling adaptive planning, executable code generation, traceable decisions, and…

Genomics · Quantitative Biology 2026-03-17 Yang Liu , Lu Zhou , Xiawei Du , Ruikun He , Xuguang Zhang , Rongbo Shen , Yixue Li

This paper presents an experimental study to compare analysis tools with management systems for querying and analysing graphs. Our experiment compares classic graph navigational operations queries where analytics tools and management…

Databases · Computer Science 2022-08-23 Genoveva Vargas-Solar , Pierre Marrec , Mirian Halfeld Ferrari Alves

Unorganized heaps of analysis code are a growing liability as data analysis pipelines are getting longer and more complicated. This is worrying, as neuroscience papers are getting retracted due to programmer error. In this paper, some…

Software Engineering · Computer Science 2019-08-12 Marijn van Vliet

The task of assigning label sequences to a set of observed sequences is common in computational linguistics. Several models for sequence labeling have been proposed over the last few years. Here, we focus on discriminative models for…

Machine Learning · Computer Science 2013-11-12 P. Balamurugan , Shirish Shevade , S. Sundararajan , S. S Keerthi

String matching algorithm plays the vital role in the Computational Biology. The functional and structural relationship of the biological sequence is determined by similarities on that sequence. For that, the researcher is supposed to aware…

Data Structures and Algorithms · Computer Science 2014-01-30 Pandiselvam. P , Marimuthu. T , Lawrance. R

This thesis presents a new methodology to analyze one-dimensional signals trough a new approach called Multi Layer Analysis, for short MLA. It also provides some new insights on the relationship between one-dimensional signals processed by…

Computer Vision and Pattern Recognition · Computer Science 2011-07-28 Luca Pinello

With the demand for machine learning increasing, so does the demand for tools which make it easier to use. Automated machine learning (AutoML) tools have been developed to address this need, such as the Tree-Based Pipeline Optimization Tool…

Neural and Evolutionary Computing · Computer Science 2018-03-13 Pieter Gijsbers , Joaquin Vanschoren , Randal S. Olson

We here present SIMLR (Single-cell Interpretation via Multi-kernel LeaRning), an open-source tool that implements a novel framework to learn a sample-to-sample similarity measure from expression data observed for heterogenous samples. SIMLR…

Genomics · Quantitative Biology 2018-01-22 Bo Wang , Daniele Ramazzotti , Luca De Sano , Junjie Zhu , Emma Pierson , Serafim Batzoglou

There are various algorithms and methodologies used for automated screening of cervical cancer by segmenting and classifying cervical cancer cells into different categories. This study presents a critical review of different research papers…

Machine Learning · Computer Science 2018-11-05 Yasha Singh , Dhruv Srivastava , P. S. Chandranand , Dr. Surinder Singh

Motivation: Microarray data has been recently been shown to be efficacious in distinguishing closely related cell types that often appear in the diagnosis of cancer. It is useful to determine the minimum number of genes needed to do such a…

Biological Physics · Physics 2007-05-23 J. M. Deutsch

Current efforts in the biomedical sciences and related interdisciplinary fields are focused on gaining a molecular understanding of health and disease, which is a problem of daunting complexity that spans many orders of magnitude in…

Quantitative Methods · Quantitative Biology 2014-01-24 Julián Candia , Jayanth R. Banavar , Wolfgang Losert

Single-cell foundation models such as scGPT represent a significant advancement in single-cell omics, with an ability to achieve state-of-the-art performance on various downstream biological tasks. However, these models are inherently…

Machine Learning · Computer Science 2025-07-15 Steven Palayew , Bo Wang , Gary Bader

This chapter discusses the way in which dimensionality reduction algorithms such as diffusion maps and sketch-map can be used to analyze molecular dynamics trajectories. The first part discusses how these various algorithms function, as…

Computational Physics · Physics 2019-07-10 Gareth A. Tribello , Piero Gasparotto

Workflows are among the most commonly used tools in a variety of execution environments. Many of them target a specific environment; few of them make it possible to execute an entire workflow in different environments, e.g. Kubernetes and…

Distributed, Parallel, and Cluster Computing · Computer Science 2024-07-09 Iacopo Colonnelli , Barbara Cantalupo , Ivan Merelli , Marco Aldinucci

Large language models (LLMs) and emerging agentic frameworks are beginning to transform single-cell biology by enabling natural-language reasoning, generative annotation, and multimodal data integration. However, progress remains fragmented…

Computation and Language · Computer Science 2025-11-25 Sajib Acharjee Dip , Adrika Zafor , Bikash Kumar Paul , Uddip Acharjee Shuvo , Muhit Islam Emon , Xuan Wang , Liqing Zhang

In certain real-world optimization scenarios, practitioners are not interested in solving multiple problems but rather in finding the best solution to a single, specific problem. When the computational budget is large relative to the cost…

Machine Learning · Computer Science 2026-02-10 Judith Echevarrieta , Etor Arza , Aritz Pérez , Josu Ceberio

The selection of the best classification algorithm for a given dataset is a very widespread problem. It is also a complex one, in the sense it requires to make several important methodological choices. Among them, in this work we focus on…

Machine Learning · Computer Science 2012-07-18 Vincent Labatut , Hocine Cherifi

Large collections of high-dimensional data have become nearly ubiquitous across many academic fields and application domains, ranging from biology to the humanities. Since working directly with high-dimensional data poses challenges, the…

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…