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Conformal prediction provides a framework for uncertainty quantification, specifically in the forms of prediction intervals and sets with distribution-free guaranteed coverage. While recent cross-conformal techniques such as CV+ and…

Machine Learning · Statistics 2026-01-01 Panisara Meehinkong , Donlapark Ponnoprat

Despite significant progress of applying deep learning methods to the field of content-based image retrieval, there has not been a software library that covers these methods in a unified manner. In order to fill this gap, we introduce…

Information Retrieval · Computer Science 2020-08-06 Benyi Hu , Ren-Jie Song , Xiu-Shen Wei , Yazhou Yao , Xian-Sheng Hua , Yuehu Liu

In this paper, we describe an open source Python toolkit named Uncertainty Quantification 360 (UQ360) for the uncertainty quantification of AI models. The goal of this toolkit is twofold: first, to provide a broad range of capabilities to…

Deep Ensembles, as a type of Bayesian Neural Networks, can be used to estimate uncertainty on the prediction of multiple neural networks by collecting votes from each network and computing the difference in those predictions. In this paper,…

Machine Learning · Computer Science 2023-07-10 Illia Oleksiienko , Alexandros Iosifidis

The $\texttt{torch-choice}$ is an open-source library for flexible, fast choice modeling with Python and PyTorch. $\texttt{torch-choice}$ provides a $\texttt{ChoiceDataset}$ data structure to manage databases flexibly and…

Machine Learning · Computer Science 2025-06-05 Tianyu Du , Ayush Kanodia , Susan Athey

We present a scheme to obtain an inexpensive and reliable estimate of the uncertainty associated with the predictions of a machine-learning model of atomic and molecular properties. The scheme is based on resampling, with multiple models…

Chemical Physics · Physics 2025-10-06 Felix Musil , Michael J. Willatt , Mikhail A. Langovoy , Michele Ceriotti

The inability of artificial neural networks to assess the uncertainty of their predictions is an impediment to their widespread use. We distinguish two types of learnable uncertainty: model uncertainty due to a lack of training data and…

Machine Learning · Computer Science 2022-06-14 Hans Weytjens , Jochen De Weerdt

In this paper we introduce ZhuSuan, a python probabilistic programming library for Bayesian deep learning, which conjoins the complimentary advantages of Bayesian methods and deep learning. ZhuSuan is built upon Tensorflow. Unlike existing…

Machine Learning · Statistics 2017-09-19 Jiaxin Shi , Jianfei Chen , Jun Zhu , Shengyang Sun , Yucen Luo , Yihong Gu , Yuhao Zhou

We consider the problem of trajectory planning in an environment comprised of a set of obstacles with uncertain locations. While previous approaches model the uncertainties with a prescribed Gaussian distribution, we consider the realistic…

Systems and Control · Computer Science 2021-01-12 Vasileios Lefkopoulos , Maryam Kamgarpour

We design and implement a ready-to-use library in PyTorch for performing micro-batch pipeline parallelism with checkpointing proposed by GPipe (Huang et al., 2019). In particular, we develop a set of design components to enable…

Distributed, Parallel, and Cluster Computing · Computer Science 2020-04-22 Chiheon Kim , Heungsub Lee , Myungryong Jeong , Woonhyuk Baek , Boogeon Yoon , Ildoo Kim , Sungbin Lim , Sungwoong Kim

We introduce torchNTK, a python library to calculate the empirical neural tangent kernel (NTK) of neural network models in the PyTorch framework. We provide an efficient method to calculate the NTK of multilayer perceptrons. We compare the…

Machine Learning · Computer Science 2022-05-26 Andrew Engel , Zhichao Wang , Anand D. Sarwate , Sutanay Choudhury , Tony Chiang

This document serves to complement our website which was developed with the aim of exposing the students to Gaussian Processes (GPs). GPs are non-parametric Bayesian regression models that are largely used by statisticians and geospatial…

Machine Learning · Computer Science 2018-09-07 Kshitij Tiwari

Reliable uncertainty measures are required when using data based machine learning interatomic potentials (MLIPs) for atomistic simulations. In this work, we propose for sparse Gaussian Process Regression type MLIP a stochastic uncertainty…

Computational Physics · Physics 2024-12-31 Mads-Peter Verner Christiansen , Nikolaj Rønne , Bjørk Hammer

Simulation-driven development of intelligent machines benefits from artificial terrains with controllable, well-defined characteristics. However, most existing tools for terrain generation focus on artist-driven workflows and visual…

Computational Engineering, Finance, and Science · Computer Science 2025-06-25 Erik Wallin

Post-hoc explanation methods have become a critical tool for understanding black-box classifiers in high-stakes applications. However, high-performing classifiers are often highly nonlinear and can exhibit complex behavior around the…

Machine Learning · Computer Science 2024-03-05 Davin Hill , Aria Masoomi , Max Torop , Sandesh Ghimire , Jennifer Dy

The superior performance of some of today's state-of-the-art deep learning models is to some extent owed to extensive (self-)supervised contrastive pretraining on large-scale datasets. In contrastive learning, the network is presented with…

Machine Learning · Computer Science 2022-07-20 Shervin Ardeshir , Navid Azizan

Automatic differentiation frameworks are optimized for exactly one thing: computing the average mini-batch gradient. Yet, other quantities such as the variance of the mini-batch gradients or many approximations to the Hessian can, in…

Machine Learning · Computer Science 2020-02-18 Felix Dangel , Frederik Kunstner , Philipp Hennig

Mapping with uncertainty representation is required in many research domains, especially for localization. Although there are many investigations regarding the uncertainty of the pose estimation of an ego-robot with map information, the…

Robotics · Computer Science 2023-08-30 Qianqian Zou , Claus Brenner , Monika Sester

We review various methods used to estimate uncertainties in quantum correlation functions, such as parton distribution functions (PDFs). Using a toy model of a PDF, we compare the uncertainty estimates yielded by the traditional Hessian and…

High Energy Physics - Phenomenology · Physics 2022-08-17 N. T. Hunt-Smith , A. Accardi , W. Melnitchouk , N. Sato , A. W. Thomas , M. J. White

Python is the de-facto language for software development in artificial intelligence (AI). Commonly used libraries, such as PyTorch and TensorFlow, rely on parallelization built into their BLAS backends to achieve speedup on CPUs. However,…

Machine Learning · Computer Science 2025-05-02 Maksim Helmann , Alexander Strack , Dirk Pflüger
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