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We introduce Generalized Integrated Gradients (GIG), a formal extension of the Integrated Gradients (IG) (Sundararajan et al., 2017) method for attributing credit to the input variables of a predictive model. GIG improves IG by explaining a…

Machine Learning · Computer Science 2019-09-10 John Merrill , Geoff Ward , Sean Kamkar , Jay Budzik , Douglas Merrill

The emergence of data-driven computational materials science offers unprecedented opportunities to explore complex material landscapes, complementing experimental research with the discovery of novel compounds. To enable these developments,…

Materials Science · Physics 2026-04-30 Holger-Dietrich Saßnick , Joshua Edzards , Timo Reents , Caterina Cocchi

Many algorithms and applications involve repeatedly solving variations of the same inference problem; for example we may want to introduce new evidence to the model or perform updates to conditional dependencies. The goal of adaptive…

Data Structures and Algorithms · Computer Science 2012-06-18 Umut A. Acar , Alexander T. Ihler , Ramgopal Mettu , Ozgur Sumer

This paper introduces $\textbf{gemact}$, a $\textbf{Python}$ package for actuarial modelling based on the collective risk model. The library supports applications to risk costing and risk transfer, loss aggregation, and loss reserving. We…

Applications · Statistics 2023-11-21 Gabriele Pittarello , Edoardo Luini , Manfred Marvin Marchione

We present an open source Python library for simulating overlapping (i.e., blended) images of galaxies and performing self-consistent comparisons of detection and deblending algorithms based on a suite of metrics. The package, named…

\texttt{Mixture-Models} is an open-source Python library for fitting Gaussian Mixture Models (GMM) and their variants, such as Parsimonious GMMs, Mixture of Factor Analyzers, MClust models, Mixture of Student's t distributions, etc. It…

Computation · Statistics 2024-02-19 Siva Rajesh Kasa , Hu Yijie , Santhosh Kumar Kasa , Vaibhav Rajan

The GooFit package provides physicists a simple, familiar syntax for manipulating probability density functions and performing fits, and is highly optimized for data analysis on NVIDIA GPUs and multithreaded CPU backends. GooFit was updated…

Mathematical Software · Computer Science 2017-10-26 Henry Schreiner , Christoph Hasse , Bradley Hittle , Himadri Pandey , Michael Sokoloff , Karen Tomko

Rule-based models are often used for data analysis as they combine interpretability with predictive power. We present RuleKit, a versatile tool for rule learning. Based on a sequential covering induction algorithm, it is suitable for…

Machine Learning · Computer Science 2020-01-28 Adam Gudyś , Marek Sikora , Łukasz Wróbel

The Statistical Toolkit is an open source system specialized in the statistical comparison of distributions. It addresses requirements common to different experimental domains, such as simulation validation (e.g. comparison of experimental…

Computational Physics · Physics 2015-06-11 M Batic , A. M. Paganoni , A. Pfeiffer , M. G. Pia , A. Ribon

Additive models offer accurate and interpretable predictions for tabular data, a critical tool for statistical modeling. Recent advances in Neural Additive Models (NAMs) allow these models to handle complex machine learning tasks, including…

Machine Learning · Computer Science 2025-03-12 Mike Van Ness , Madeleine Udell

Gaussian processes (GPs) are generally regarded as the gold standard surrogate model for emulating computationally expensive computer-based simulators. However, the problem of training GPs as accurately as possible with a minimum number of…

Methodology · Statistics 2024-11-26 Hossein Mohammadi , Peter Challenor

We introduce Dimple, a fully open-source API for probabilistic modeling. Dimple allows the user to specify probabilistic models in the form of graphical models, Bayesian networks, or factor graphs, and performs inference (by automatically…

Software Engineering · Computer Science 2012-12-14 Shawn Hershey , Jeff Bernstein , Bill Bradley , Andrew Schweitzer , Noah Stein , Theo Weber , Ben Vigoda

Measurements at particle collider experiments, even if primarily aimed at understanding Standard Model processes, can have a high degree of model independence, and implicitly contain information about potential contributions from physics…

High Energy Physics - Phenomenology · Physics 2021-08-20 A. Buckley , J. M. Butterworth , L. Corpe , M. Habedank , D. Huang , D. Yallup , M. Altakach , G. Bassman , I. Lagwankar , J. Rocamonde , H. Saunders , B. Waugh , G. Zilgalvis

This paper presents Global Benchmark Database (GBD), a comprehensive suite of tools for provisioning and sustainably maintaining benchmark instances and their metadata. The availability of benchmark metadata is essential for many tasks in…

Databases · Computer Science 2026-01-15 Ashlin Iser , Christoph Jabs

Periorbital measurements such as margin reflex distances (MRD1/2), palpebral fissure height, and scleral show are essential in diagnosing and managing conditions like ptosis and eyelid disorders. We developed Glorbit, a lightweight,…

Generalized additive models (GAMs) are a widely used class of models of interest to statisticians as they provide a flexible way to design interpretable models of data beyond linear models. We here propose a scalable and well-calibrated…

Machine Learning · Computer Science 2018-12-31 Vincent Adam , Nicolas Durrande , ST John

While machine learning offers diverse techniques suitable for exploring various medical research questions, a cohesive synergistic framework can facilitate the integration and understanding of new approaches within unified model development…

Machine Learning · Computer Science 2025-01-09 Ramtin Zargari Marandi , Anne Svane Frahm , Jens Lundgren , Daniel Dawson Murray , Maja Milojevic

Studying the impact of new-physics models on low-energy observables necessitates matching to effective field theories at the relevant mass thresholds. We introduce the first public version of Matchete, a computer tool for matching…

High Energy Physics - Phenomenology · Physics 2023-07-31 Javier Fuentes-Martín , Matthias König , Julie Pagès , Anders Eller Thomsen , Felix Wilsch

Foundation models have demonstrated a great ability to achieve general human-level intelligence far beyond traditional approaches. As the technique keeps attracting attention from the AI community, an increasing number of foundation models…

Computation and Language · Computer Science 2024-05-07 Shizhe Diao , Rui Pan , Hanze Dong , Ka Shun Shum , Jipeng Zhang , Wei Xiong , Tong Zhang

Generalized additive models (GAMs) have become a leading modelclass for interpretable machine learning. However, there are many algorithms for training GAMs, and these can learn different or even contradictory models, while being equally…

Machine Learning · Computer Science 2021-06-08 Chun-Hao Chang , Sarah Tan , Ben Lengerich , Anna Goldenberg , Rich Caruana