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Ensemble clustering is a fundamental problem in the machine learning field, combining multiple base clusterings into a better clustering result. However, most of the existing methods are unsuitable for large-scale ensemble clustering tasks…

Finite-temperature magnetism gives rise to many phenomena in alloy materials, such as magnetic phase transformations, short or medium range order in magnetic alloys, spin waves, critical phenomena, and the magnetocaloric effect. Lattice…

A large amount of data is produced every second from modern information systems such as mobile devices, the world wide web, Internet of Things, social media, etc. Analysis and mining of this massive data requires a lot of advanced tools and…

$\textit{Pymc-learn}$ 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…

We present the Core Imaging Library (CIL), an open-source Python framework for tomographic imaging with particular emphasis on reconstruction of challenging datasets. Conventional filtered back-projection reconstruction tends to be…

Using the maximum entropy method, we derive the "adaptive cluster expansion" (ACE), which can be trained to estimate probability density functions in high dimensional spaces. The main advantage of ACE over other Bayesian networks is its…

High-quality labeled datasets are crucial for training and evaluating foundation models in software engineering, but creating them is often prohibitively expensive and labor-intensive. We introduce SPICE, a scalable, automated pipeline for…

Dealing with biased data samples is a common task across many statistical fields. In survey sampling, bias often occurs due to unrepresentative samples. In causal studies with observational data, the treated versus untreated group…

Time series processing and feature extraction are crucial and time-intensive steps in conventional machine learning pipelines. Existing packages are limited in their applicability, as they cannot cope with irregularly-sampled or…

LLMs are increasingly used as seq2seq translators from natural language utterances to structured programs, a process called semantic interpretation. Unlike atomic labels or token sequences, programs are naturally represented as abstract…

This paper presents a new Python library called Automated Learning for Insightful Comparison and Evaluation (ALICE), which merges conventional feature selection and the concept of inter-rater agreeability in a simple, user-friendly manner…

Text clustering, as one of the most fundamental challenges in unsupervised learning, aims at grouping semantically similar text segments without relying on human annotations. With the rapid development of deep learning, deep clustering has…

This paper makes the case for a single-ISA heterogeneous computing platform, AISC, where each compute engine (be it a core or an accelerator) supports a different subset of the very same ISA. An ISA subset may not be functionally complete,…

This paper describes PyOED, a highly extensible scientific package that enables developing and testing model-constrained optimal experimental design (OED) for inverse problems. Specifically, PyOED aims to be a comprehensive Python toolkit…

Desktop GIS applications, such as ArcGIS and QGIS, provide tools essential for conducting suitability analysis, an activity that is central in formulating a land-use plan. But, when it comes to building complicated land-use suitability…

The package \textsf{clayton} is designed to be intuitive, user-friendly, and efficient. It offers a wide range of copula models, including Archimedean, Elliptical, and Extreme. The package is implemented in pure \textsf{Python}, making it…

PyECLOUD is a newly developed code for the simulation of the electron cloud (EC) build-up in particle accelerators. Almost entirely written in Python, it is mostly based on the physical models already used in the ECLOUD code but, thanks to…

For alloy thermodynamics, we obtain unique, physical effective cluster interactions (ECI) from truncated cluster expansions (CE) via subspace-projection from a complete configurational Hilbert space; structures form a (sub)space spanned by…

We have developed a method to improve the doping computation efficiency, this method is based on first principles calculations and cluster expansion. First principles codes produce highly accurate total energies and optimized geometries for…

We present a highly accurate and transferable parameterization of water using the atomic cluster expansion (ACE). To efficiently sample liquid water, we propose a novel approach that involves sampling static calculations of various ice…