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We present an easy-to-use, Python-based framework that allows a researcher to automate their computational simulations. In particular the framework facilitates assembling several long-running computations and producing various plots from…
Neural activity data can be associated with behavioral and physiological variables by analyzing their changes in the temporal domain. However, such relationships are often difficult to quantify and test, requiring advanced computational…
Techniques from computational topology, in particular persistent homology, are becoming increasingly relevant for data analysis. Their stable metrics permit the use of many distance-based data analysis methods, such as multidimensional…
Persistent (co)homology is a central construction in topological data analysis, where it is used to quantify prominence of features in data to produce stable descriptors suitable for downstream analysis. Persistence is challenging to…
Persistent homology (PH) is a powerful mathematical method to automatically extract relevant insights from images, such as those obtained by high-resolution imaging devices like electron microscopes or new-generation telescopes. However,…
Space-filling experimental design techniques are commonly used in many computer modeling and simulation studies to explore the effects of inputs on outputs. This research presents raxpy, a Python package that leverages expressive annotation…
The freud Python package is a powerful library for analyzing simulation data. Written with modern simulation and data analysis workflows in mind, freud provides a Python interface to fast, parallelized C++ routines that run efficiently on…
We present CAFA-evaluator, a powerful Python program designed to evaluate the performance of prediction methods on targets with hierarchical concept dependencies. It generalizes multi-label evaluation to modern ontologies where the…
This paper presents hep-aid, a modular Python library conceived for utilising, implementing, and developing parameter scan algorithms. Originally devised for sample-efficient, multi-objective active search approaches in computationally…
Federated analytics seeks to compute accurate statistics from data distributed across users' devices while providing a suitable privacy guarantee and being practically feasible to implement and scale. In this paper, we show how a strong…
The need for privacy-preserving analytics is higher than ever due to the severity of privacy risks and to comply with new privacy regulations leading to an amplified interest in privacy-preserving techniques that try to balance between…
Real-time time-dependent density functional theory (rt-TDDFT) is a well-established method for studying the dynamic response of matter in the femtosecond or optical range. In this method, the Kohn-Sham (KS) wave functions are propagated…
Mathematical modeling is a powerful tool in rheology, and we present pyRheo, an open-source package for Python designed to streamline the analysis of creep, stress relaxation, oscillation, and rotation tests. pyRheo contains a comprehensive…
High-energy physics phenomenology often requires linking multiple computational tools to evaluate observables, likelihoods, and experimental constraints across nontrivial parameter spaces. In this work, we introduce Jarvis-HEP, a…
Autonomous AI agents on embedded platforms require real-time, risk-aware scheduling under resource and thermal constraints. Classical heuristics struggle with workload irregularity, tabular regressors discard structural information, and…
We present PyWiFeS, a new Python-based data reduction pipeline for the Wide Field Spectrograph (WiFeS). PyWiFeS consists of a series of core data processing routines built on standard scientific Python packages commonly used in astronomical…
RooFit is a toolkit for statistical modelling and fitting, and together with RooStats it is used for measurements and statistical tests by most experiments in particle physics. Since one year, RooFit is being modernised. In this talk,…
Partial differential equations describing the dynamics of physical systems rarely have closed-form solutions. Fourier spectral methods, which use Fast Fourier Transforms (FFTs) to approximate solutions, are a common approach to solving…
We present NPTFit, an open-source code package, written in python and cython, for performing non-Poissonian template fits (NPTFs). The NPTF is a recently-developed statistical procedure for characterizing the contribution of unresolved…
We present the Python Tree Tensor Network package (pyTTN) for the evaluation of dynamical properties of closed and open quantum systems that makes use of Tree Tensor Network (TTN), or equivalently the multi-layer multiconfiguration…