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It is critical that machine learning (ML) model predictions be trustworthy for high-throughput catalyst discovery approaches. Uncertainty quantification (UQ) methods allow estimation of the trustworthiness of an ML model, but these methods…

Machine Learning · Computer Science 2023-02-07 Cameron Gruich , Varun Madhavan , Yixin Wang , Bryan Goldsmith

Deep ensembles deliver state-of-the-art, reliable uncertainty quantification, but their heavy computational and memory requirements hinder their practical deployments to real applications such as on-device AI. Knowledge distillation…

Machine Learning · Computer Science 2025-10-27 Sehyun Park , Jongjin Lee , Yunseop Shin , Ilsang Ohn , Yongdai Kim

Effective cooperation is pivotal in distributed learning for multi-agent systems, where the interplay between the quantity and quality of the machine learning models is crucial. This paper reveals the irrationality of indiscriminate…

Machine Learning · Computer Science 2026-01-22 Zewen Yang , Xiaobing Dai , Jiajun Cheng , Yulong Huang , Peng Shi

A framework for robust optimization under uncertainty based on the use of the generalized inverse distribution function (GIDF), also called quantile function, is here proposed. Compared to more classical approaches that rely on the usage of…

Optimization and Control · Mathematics 2014-07-18 Domenico Quagliarella , Giovanni Petrone , Gianluca Iaccarino

This paper presents a novel approach for propagating uncertainties in dynamical systems building on high-order Taylor expansions of the flow and moment-generating functions (MGFs). Unlike prior methods that focus on Gaussian distributions,…

Space Physics · Physics 2025-04-08 Giacomo Acciarini , Nicola Baresi , David Lloyd , Dario Izzo

This paper proposes a framework for multi-robot systems to perform simultaneous learning and coverage of a domain of interest characterized by an unknown and potentially time-varying density function. To overcome the limitations of Gaussian…

Robotics · Computer Science 2025-11-11 Ruijie Du , Ruoyu Lin , Yanning Shen , Magnus Egerstedt

Multi-output Gaussian Processes provide principled uncertainty-aware learning of vector-valued fields but are difficult to deploy in large-scale, distributed, and streaming settings due to their computational and centralized nature. This…

Machine Learning · Computer Science 2026-04-14 Yogesh Prasanna Kumar Rao , Tamas Keviczky , Raj Thilak Rajan

Active Learning (AL) is increasingly important in a broad range of applications. Two main AL principles to obtain accurate classification with few labeled data are refinement of the current decision boundary and exploration of poorly…

Machine Learning · Computer Science 2012-10-19 Jens Roeder , Boaz Nadler , Kevin Kunzmann , Fred A. Hamprecht

The computational efficiency of approximate Bayesian computation (ABC) has been improved by using surrogate models such as Gaussian processes (GP). In one such promising framework the discrepancy between the simulated and observed data is…

Machine Learning · Statistics 2020-08-07 Marko Järvenpää , Aki Vehtari , Pekka Marttinen

We study the estimation of risk-sensitive policies in reinforcement learning problems defined by a Markov Decision Process (MDPs) whose state and action spaces are countably finite. Prior efforts are predominately afflicted by computational…

Machine Learning · Statistics 2020-03-02 Junyu Zhang , Amrit Singh Bedi , Mengdi Wang , Alec Koppel

We propose a time series forecasting method named Quantum Gramian Angular Field (QGAF). This approach merges the advantages of quantum computing technology with deep learning, aiming to enhance the precision of time series classification…

Machine Learning · Computer Science 2023-12-12 Zhengmeng Xu , Yujie Wang , Xiaotong Feng , Yilin Wang , Yanli Li , Hai Lin

We propose a highly data-efficient active learning framework for image classification. Our novel framework combines: (1) unsupervised representation learning of a Convolutional Neural Network and (2) the Gaussian Process (GP) method, in…

Computer Vision and Pattern Recognition · Computer Science 2022-06-22 Heng Hao , Hankyu Moon , Sima Didari , Jae Oh Woo , Patrick Bangert

Predictions made by deep learning models are prone to data perturbations, adversarial attacks, and out-of-distribution inputs. To build a trusted AI system, it is therefore critical to accurately quantify the prediction uncertainties. While…

Machine Learning · Computer Science 2023-04-12 Hanjing Wang , Dhiraj Joshi , Shiqiang Wang , Qiang Ji

Repetitive motion tasks are common in robotics, but performance can degrade over time due to environmental changes and robot wear and tear. Iterative learning control (ILC) improves performance by using information from previous iterations…

Robotics · Computer Science 2026-02-23 Unnati Nigam , Radhendushka Srivastava , Faezeh Marzbanrad , Michael Burke

A new algorithm is developed to tackle the issue of sampling non-Gaussian model parameter posterior probability distributions that arise from solutions to Bayesian inverse problems. The algorithm aims to mitigate some of the hurdles faced…

Machine Learning · Statistics 2019-11-19 Leen Alawieh , Jonathan Goodman , John B. Bell

Kernel-based machine learning approaches are gaining increasing interest for exploring and modeling large dataset in recent years. Gaussian process (GP) is one example of such kernel-based approaches, which can provide very good performance…

Machine Learning · Computer Science 2019-07-09 Yuxin Zhao , Feng Yin , Fredrik Gunnarsson , Fredrik Hultkrantz

In recent years, quantitative investment methods combined with artificial intelligence have attracted more and more attention from investors and researchers. Existing related methods based on the supervised learning are not very suitable…

Machine Learning · Computer Science 2021-05-11 Sihang Chen , Weiqi Luo , Chao Yu

Active learning of physical systems must commonly respect practical safety constraints, which restricts the exploration of the design space. Gaussian Processes (GPs) and their calibrated uncertainty estimations are widely used for this…

Machine Learning · Computer Science 2024-04-16 Jörn Tebbe , Christoph Zimmer , Ansgar Steland , Markus Lange-Hegermann , Fabian Mies

Few-shot segmentation is a challenging task, requiring the extraction of a generalizable representation from only a few annotated samples, in order to segment novel query images. A common approach is to model each class with a single…

Computer Vision and Pattern Recognition · Computer Science 2021-03-31 Joakim Johnander , Johan Edstedt , Martin Danelljan , Michael Felsberg , Fahad Shahbaz Khan

Gaussian processes (GPs) are pervasive in functional data analysis, machine learning, and spatial statistics for modeling complex dependencies. Modern scientific data sets are typically heterogeneous and often contain multiple known…

Methodology · Statistics 2021-10-19 Didong Li , Andrew Jones , Sudipto Banerjee , Barbara E. Engelhardt