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In this work, we present scikit-fingerprints, a Python package for computation of molecular fingerprints for applications in chemoinformatics. Our library offers an industry-standard scikit-learn interface, allowing intuitive usage and easy…

Software Engineering · Computer Science 2025-08-12 Jakub Adamczyk , Piotr Ludynia

Using precise times of every spike, spiking supervised learning has more effects on complex spatial-temporal pattern than supervised learning only through neuronal firing rates. The purpose of spiking supervised learning after…

Neural and Evolutionary Computing · Computer Science 2019-02-12 Guojun Chen , Xianghong Lin , Guoen Wang

Correct performance assessment is crucial for evaluating modern artificial intelligence algorithms in medicine like deep-learning based medical image segmentation models. However, there is no universal metric library in Python for…

Computer Vision and Pattern Recognition · Computer Science 2022-01-25 Dominik Müller , Dennis Hartmann , Philip Meyer , Florian Auer , Iñaki Soto-Rey , Frank Kramer

Bayesian Knowledge Tracing, a model used for cognitive mastery estimation, has been a hallmark of adaptive learning research and an integral component of deployed intelligent tutoring systems (ITS). In this paper, we provide a brief history…

Mathematical Software · Computer Science 2021-06-01 Anirudhan Badrinath , Frederic Wang , Zachary Pardos

The recomputability and reproducibility of results from scientific software requires access to both the source code and all associated input and output data. However, the full collection of these resources often does not accompany the key…

Computational Engineering, Finance, and Science · Computer Science 2015-12-24 Christian T. Jacobs , Alexandros Avdis , Gerard J. Gorman , Matthew D. Piggott

This paper introduces Sparklen, a statistical learning toolkit for Hawkes processes in Python, designed to bring together efficiency and ease of use. The purpose of this package is to provide the Python community with a complete suite of…

Methodology · Statistics 2025-03-31 Romain Edmond Lacoste

Numerical stability is a crucial requirement of reliable scientific computing. However, despite the pervasiveness of Python in data science, analyzing large Python programs remains challenging due to the lack of scalable numerical analysis…

Mathematical Software · Computer Science 2024-10-28 Yohan Chatelain , Nigel Yong , Gregory Kiar , Tristan Glatard

Large Language Models (LLMs) have shown great potential in automating code generation; however, their ability to generate accurate circuit-level SPICE code remains limited due to a lack of hardware-specific knowledge. In this paper, we…

Hardware Architecture · Computer Science 2024-10-29 Deepak Vungarala , Sakila Alam , Arnob Ghosh , Shaahin Angizi

As hybrid quantum-classical models gain traction in machine learning, there is a growing need for tools that assess their effectiveness beyond raw accuracy. We present QMetric, a Python package offering a suite of interpretable metrics to…

Quantum Physics · Physics 2025-11-17 Silvie Illésová , Tomasz Rybotycki , Martin Beseda

Modern time series analysis demands frameworks that are flexible, efficient, and extensible. However, many existing Python libraries exhibit limitations in modularity and in their native support for irregular, multi-source, or sparse data.…

Machine Learning · Computer Science 2025-08-27 Zhijin Wang , Senzhen Wu , Yue Hu , Xiufeng Liu

PaPy, which stands for parallel pipelines in Python, is a highly flexible framework that enables the construction of robust, scalable workflows for either generating or processing voluminous datasets. A workflow is created from user-written…

Programming Languages · Computer Science 2014-07-17 Marcin Cieslik , Cameron Mura

Machine learning is a general-purpose technology holding promises for many interdisciplinary research problems. However, significant barriers exist in crossing disciplinary boundaries when most machine learning tools are developed in…

Machine Learning · Computer Science 2021-06-21 Haiping Lu , Xianyuan Liu , Robert Turner , Peizhen Bai , Raivo E Koot , Shuo Zhou , Mustafa Chasmai , Lawrence Schobs

Behavioral studies using personal digital devices typically produce rich longitudinal datasets of mixed data types. These data provide information about the behavior of users of these devices in real-time and in the users' natural…

Human-Computer Interaction · Computer Science 2022-12-06 A. Ikäheimonen , A. M. Triana , N. Luong , A. Ziaei , J. Rantaharju , R. Darst , T. Aledavood

Understanding the interaction patterns among simultaneous recordings of spike trains from multiple neuronal units is a key topic in neuroscience. However, an optimal approach of assessing these interactions has not been established, as…

Neurons and Cognition · Quantitative Biology 2020-12-17 Gorana Mijatovic , Yuri Antonacci , Tatjana Loncar-Turukalo , Ludovico Minati , Luca Faes

To understand how neural networks process information, it is important to investigate how neural network dynamics varies with respect to different stimuli. One challenging task is to design efficient statistical approaches to analyze…

Neurons and Cognition · Quantitative Biology 2018-11-30 Zhi-Qin John Xu , Douglas Zhou , David Cai

Raman spectroscopy is a non-destructive and label-free chemical analysis technique, which plays a key role in the analysis and discovery cycle of various branches of science. Nonetheless, progress in Raman spectroscopic analysis is still…

In recent years, new technologies in neuroscience have made it possible to measure the activities of large numbers of neurons simultaneously in behaving animals. For each neuron, a fluorescence trace is measured; this can be seen as a…

Applications · Statistics 2017-11-15 Sean Jewell , Daniela Witten

Discovering frequent episodes in event sequences is an interesting data mining task. In this paper, we argue that this framework is very effective for analyzing multi-neuronal spike train data. Analyzing spike train data is an important…

Databases · Computer Science 2008-03-10 Debprakash Patnaik , P. S. Sastry , K. P. Unnikrishnan

$\textit{Pymc-learn}$ 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

SHallow REcurrent Decoders (SHRED) provide a deep learning strategy for modeling high-dimensional dynamical systems and/or spatiotemporal data from dynamical system snapshot observations. PySHRED is a Python package that implements SHRED…

Machine Learning · Computer Science 2025-07-29 David Ye , Jan Williams , Mars Gao , Stefano Riva , Matteo Tomasetto , David Zoro , J. Nathan Kutz
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