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In decision-making systems, it is important to have classifiers that have calibrated uncertainties, with an optimisation objective that can be used for automated model selection and training. Gaussian processes (GPs) provide uncertainty…

Machine Learning · Statistics 2020-03-05 Vincent Dutordoir , Mark van der Wilk , Artem Artemev , James Hensman

We present a two-stage Metropolis-Hastings algorithm for sampling probabilistic models, whose log-likelihood is computationally expensive to evaluate, by using a surrogate Gaussian Process (GP) model. The key feature of the approach, and…

Machine Learning · Statistics 2021-09-29 Alessio Benavoli , Jason Wyse , Arthur White

We introduce an unsupervised clustering algorithm to improve training efficiency and accuracy in predicting energies using molecular-orbital-based machine learning (MOB-ML). This work determines clusters via the Gaussian mixture model (GMM)…

Chemical Physics · Physics 2023-03-28 Lixue Cheng , Jiace Sun , Thomas F. Miller

Deep Gaussian Processes (DGPs) are hierarchical generalizations of Gaussian Processes that combine well calibrated uncertainty estimates with the high flexibility of multilayer models. One of the biggest challenges with these models is that…

Machine Learning · Statistics 2018-11-13 Marton Havasi , José Miguel Hernández-Lobato , Juan José Murillo-Fuentes

Deep neural networks, including transformers and convolutional neural networks, have significantly improved multivariate time series classification (MTSC). However, these methods often rely on supervised learning, which does not fully…

Machine Learning · Computer Science 2024-05-28 Xiwen Chen , Peijie Qiu , Wenhui Zhu , Huayu Li , Hao Wang , Aristeidis Sotiras , Yalin Wang , Abolfazl Razi

We consider training classifiers for 3D medical images using only one binary label for the entire volume rather than a label for each 2D slice. In such weakly supervised settings, can we learn accurate classifiers for slice-level…

Machine Learning · Computer Science 2026-05-27 Ethan Harvey , Dennis Johan Loevlie , Michael C. Hughes

We consider the problem of active learning for global sensitivity analysis of expensive black-box functions. Our aim is to efficiently learn the importance of different input variables, e.g., in vehicle safety experimentation, we study the…

Machine Learning · Computer Science 2024-10-22 Syrine Belakaria , Benjamin Letham , Janardhan Rao Doppa , Barbara Engelhardt , Stefano Ermon , Eytan Bakshy

We present a Gaussian Process - Latent Class Choice Model (GP-LCCM) to integrate a non-parametric class of probabilistic machine learning within discrete choice models (DCMs). Gaussian Processes (GPs) are kernel-based algorithms that…

Econometrics · Economics 2023-08-02 Georges Sfeir , Filipe Rodrigues , Maya Abou-Zeid

Pareto Front (PF) modeling is essential in decision making problems across all domains such as economics, medicine or engineering. In Operation Research literature, this task has been addressed based on multi-objective optimization…

Machine Learning · Computer Science 2020-01-22 Zhengqi Gao , Jun Tao , Yangfeng Su , Dian Zhou , Xuan Zeng

Whole slide images (WSIs) classification represents a fundamental challenge in computational pathology, where multiple instance learning (MIL) has emerged as the dominant paradigm. Current state-of-the-art (SOTA) MIL methods rely on…

Computer Vision and Pattern Recognition · Computer Science 2025-10-07 Chengying She , Chengwei Chen , Dongjie Fan , Lizhuang Liu , Chengwei Shao , Yun Bian , Ben Wang , Xinran Zhang

Meta-learning for few-shot learning entails acquiring a prior over previous tasks and experiences, such that new tasks be learned from small amounts of data. However, a critical challenge in few-shot learning is task ambiguity: even when a…

Machine Learning · Computer Science 2019-10-18 Chelsea Finn , Kelvin Xu , Sergey Levine

Multiple Instance Learning (MIL) and transformers are increasingly popular in histopathology Whole Slide Image (WSI) classification. However, unlike human pathologists who selectively observe specific regions of histopathology tissues under…

Computer Vision and Pattern Recognition · Computer Science 2023-07-18 Conghao Xiong , Hao Chen , Joseph J. Y. Sung , Irwin King

Deep learning models have great potential in medical imaging, including orthodontics and skeletal maturity assessment. However, applying a model to data different from its training set can lead to unreliable predictions that may impact…

Image and Video Processing · Electrical Eng. & Systems 2025-05-15 Omid Halimi Milani , Amanda Nikho , Lauren Mills , Marouane Tliba , Ahmet Enis Cetin , Mohammed H. Elnagar

Multiple Instance Learning (MIL) has emerged as the best solution for Whole Slide Image (WSI) classification. It consists of dividing each slide into patches, which are treated as a bag of instances labeled with a global label. MIL includes…

Computer Vision and Pattern Recognition · Computer Science 2025-05-05 Ali Mammadov , Loic Le Folgoc , Julien Adam , Anne Buronfosse , Gilles Hayem , Guillaume Hocquet , Pietro Gori

Multiple Instance Learning (MIL) is increasingly being used as a support tool within clinical settings for pathological diagnosis decisions, achieving high performance and removing the annotation burden. However, existing approaches for…

Computer Vision and Pattern Recognition · Computer Science 2025-08-01 Sungrae Hong , Kyungeun Kim , Juhyeon Kim , Sol Lee , Jisu Shin , Chanjae Song , Mun Yong Yi

Selective prediction aims to learn a reliable model that abstains from making predictions when uncertain. These predictions can then be deferred to humans for further evaluation. As an everlasting challenge for machine learning, in many…

Machine Learning · Computer Science 2024-03-04 Jiefeng Chen , Jinsung Yoon , Sayna Ebrahimi , Sercan Arik , Somesh Jha , Tomas Pfister

In this work, we present a novel mask guided attention (MGA) method for fine-grained patchy image classification. The key challenge of fine-grained patchy image classification lies in two folds, ultra-fine-grained inter-category variances…

Computer Vision and Pattern Recognition · Computer Science 2021-09-23 Jun Wang , Xiaohan Yu , Yongsheng Gao

Accurate determination of fuel properties of complex mixtures over a wide range of pressure and temperature conditions is essential to utilizing alternative fuels. The present work aims to construct cheap-to-compute machine learning (ML)…

Machine Learning · Statistics 2021-10-19 Rodolfo S. M. Freitas , Ágatha P. F. Lima , Cheng Chen , Fernando A. Rochinha , Daniel Mira , Xi Jiang

Gaussian Process Regression (GPR) is a popular regression method, which unlike most Machine Learning techniques, provides estimates of uncertainty for its predictions. These uncertainty estimates however, are based on the assumption that…

Machine Learning · Computer Science 2024-08-29 Harris Papadopoulos

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