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Background: The study of genome-scale metabolic models and their underlying networks is one of the most important fields in systems biology. The complexity of these models and their description makes the use of computational tools an…

Molecular Networks · Quantitative Biology 2012-12-03 D. Gamermann , A. Montagud , R. A. Jaime Infante , J. Triana , P. F. de Córdoba , J. F. Urchueguía

Modal synthesis is an important area of physical modeling whose exploration in the past has been held back by a large number of control parameters, the scarcity of general-purpose design tools and the difficulty of obtaining the…

Sound · Computer Science 2007-05-23 Ilia Bisnovatyi

Molecular dynamics simulations are one of the methods in scientific computing that benefit from GPU acceleration. For those devices, SYCL is a promising API for writing portable codes. In this paper, we present the case study of "HAL's MD…

Distributed, Parallel, and Cluster Computing · Computer Science 2024-06-07 Viktor Skoblin , Felix Höfling , Steffen Christgau

Instruction tuning has shown promising potential for developing general-purpose AI capabilities by using large-scale pre-trained models and boosts growing research to integrate multimodal information for creative applications. However,…

Computation and Language · Computer Science 2023-12-21 Yihang Zhai , Haixin Wang , Jianlong Chang , Xinlong Yang , Jinan Sun , Shikun Zhang , Qi Tian

$\textit{Pymc-learn}$ is a Python package providing a variety of state-of-the-art probabilistic models for supervised and unsupervised machine learning. It is inspired by $\textit{scikit-learn}$ and focuses on bringing probabilistic machine…

Machine Learning · Statistics 2018-11-05 Daniel Emaasit

When modeling complex, hierarchical, and time-dynamic systems, such as biological systems, good computational tools are essential. Current tools, while powerful, often lack comprehensive frameworks for modular model composition,…

Quantitative Methods · Quantitative Biology 2025-10-17 Henrik Podéus , Gustav Magnusson , Sasan Keshmiri , Kajsa Tunedal , Nicolas Sundqvist , William Lövfors , Gunnar Cedersund

We present ByzFL, an open-source Python library for developing and benchmarking robust federated learning (FL) algorithms. ByzFL provides a unified and extensible framework that includes implementations of state-of-the-art robust…

Machine Learning · Computer Science 2025-06-02 Marc González , Rachid Guerraoui , Rafael Pinot , Geovani Rizk , John Stephan , François Taïani

To address the annotation burden in LiDAR-based 3D object detection, active learning (AL) methods offer a promising solution. However, traditional active learning approaches solely rely on a small amount of labeled data to train an initial…

Computer Vision and Pattern Recognition · Computer Science 2025-03-25 Zengran Wang , Yanan Zhang , Jiaxin Chen , Di Huang

Multimodal learning enables neural networks to integrate information from heterogeneous sources, but active learning in this setting faces distinct challenges. These include missing modalities, differences in modality difficulty, and…

Machine Learning · Computer Science 2026-04-01 Dustin Eisenhardt , Yunhee Jeong , Florian Buettner

One problem with researching cognitive modeling and reinforcement learning (RL) is that researchers spend too much time on setting up an appropriate computational framework for their experiments. Many open source implementations of current…

Machine Learning · Computer Science 2024-01-29 Jan Dohmen , Frank Röder , Manfred Eppe

This paper describes an open-source Python framework for handling datasets for music processing tasks, built with the aim of improving the reproducibility of research projects in music computing and assessing the generalization abilities of…

Multimedia · Computer Science 2021-12-28 Federico Simonetta , Stavros Ntalampiras , Federico Avanzini

PyArmadillo is a linear algebra library for the Python language, with the aim of closely mirroring the programming interface of the widely used Armadillo C++ library, which in turn is deliberately similar to Matlab. PyArmadillo hence…

Mathematical Software · Computer Science 2021-10-22 Jason Rumengan , Terry Yue Zhuo , Conrad Sanderson

Computational materials science produces large quantities of data, both in terms of high-throughput calculations and individual studies. Extracting knowledge from this large and heterogeneous pool of data is challenging due to the wide…

Materials Science · Physics 2024-10-23 Martin Kuban , Santiago Rigamonti , Claudia Draxl

Medical image processing demands specialized software that handles high-dimensional volumetric data, heterogeneous file formats, and domain-specific training procedures. Existing frameworks either provide low-level components that require…

Computer Vision and Pattern Recognition · Computer Science 2026-02-25 Tianhao Fu , Yucheng Chen

Active learning (AL) is a prominent technique for reducing the annotation effort required for training machine learning models. Deep learning offers a solution for several essential obstacles to deploying AL in practice but introduces many…

Computation and Language · Computer Science 2022-05-10 Akim Tsvigun , Artem Shelmanov , Gleb Kuzmin , Leonid Sanochkin , Daniil Larionov , Gleb Gusev , Manvel Avetisian , Leonid Zhukov

Detecting microbial biomarkers used to predict disease phenotypes and clinical outcomes is crucial for disease early-stage screening and diagnosis. Most methods for biomarker identification are linear-based, which is very limited as…

Quantitative Methods · Quantitative Biology 2021-09-29 Jian Jiang

Computer-aided design (CAD) has become a critical element in the creation of nanopatterned structures and devices. In particular, with the increased adoption of easy-to-learn programming languages like Python there has been a significant…

Superconductivity · Physics 2023-08-17 A. N. McCaughan , A. M. Tait , S. M. Buckley , D. M. Oh , J. T. Chiles , J. M. Shainline , S. W. Nam

Multi-task learning (MTL) is an efficient solution to solve multiple tasks simultaneously in order to get better speed and performance than handling each single-task in turn. The most current methods can be categorized as either: (i) hard…

Computer Vision and Pattern Recognition · Computer Science 2019-12-02 Yifan Liu , Bohan Zhuang , Chunhua Shen , Hao Chen , Wei Yin

Active learning (AL) can drastically accelerate materials discovery; its power has been shown in various classes of materials and target properties. Prior efforts have used machine learning models for the optimal selection of physical…

Materials Science · Physics 2021-10-18 David E. Farache , Juan C. Verduzco , Zachary D. McClure , Saaketh Desai , Alejandro Strachan

Quantum machine learning, as an extension of classical machine learning that harnesses quantum mechanics, facilitates effiient learning from data encoded in quantum states. Training a quantum neural network typically demands a substantial…

Quantum Physics · Physics 2026-02-17 Yongcheng Ding , Yue Ban , Mikel Sanz , José D. Martín-Guerrero , Xi Chen
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