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Estimating the parameters of mathematical models is a common problem in almost all branches of science. However, this problem can prove notably difficult when processes and model descriptions become increasingly complex and an explicit…

Machine Learning · Statistics 2024-02-09 Stefan T. Radev , Ulf K. Mertens , Andreas Voss , Lynton Ardizzone , Ullrich Köthe

Motivation: Ab initio protein docking represents a major challenge for optimizing a noisy and costly "black box"-like function in a high-dimensional space. Despite progress in this field, there is no docking method available for rigorous…

Biomolecules · Quantitative Biology 2019-02-04 Yue Cao , Yang Shen

Autonomous experimental systems are increasingly used in materials research to accelerate scientific discovery, but their performance is often limited by low-quality, noisy data. This issue is especially problematic in data-intensive…

Machine Learning · Computer Science 2026-04-01 Jawad Chowdhury , Ganesh Narasimha , Jan-Chi Yang , Yongtao Liu , Rama Vasudevan

Constraint acquisition systems such as QuAcq and MultiAcq can assist non-expert users to model their problems as constraint networks by classifying (partial) examples as positive or negative. For each negative example, the former focuses on…

Artificial Intelligence · Computer Science 2021-09-14 Dimosthenis C. Tsouros , Kostas Stergiou

There is renewed interest in formulating integration as an inference problem, motivated by obtaining a full distribution over numerical error that can be propagated through subsequent computation. Current methods, such as Bayesian…

Machine Learning · Statistics 2017-08-01 François-Xavier Briol , Chris J. Oates , Mark Girolami , Michael A. Osborne

We present BayesQ, an uncertainty-guided post-training quantization framework that is the first to optimize quantization under the posterior expected loss. BayesQ fits a lightweight Gaussian posterior over weights (diagonal Laplace by…

Machine Learning · Computer Science 2025-11-13 Ismail Lamaakal , Chaymae Yahyati , Yassine Maleh , Khalid El Makkaoui , Ibrahim Ouahbi

Active inference is a state-of-the-art framework in neuroscience that offers a unified theory of brain function. It is also proposed as a framework for planning in AI. Unfortunately, the complex mathematics required to create new models --…

Machine Learning · Computer Science 2021-05-11 Théophile Champion , Marek Grześ , Howard Bowman

Neural networks and machine learning models for uncertainty quantification suffer from limited scalability and poor reliability compared to their deterministic counterparts. In industry-scale active learning settings, where generating a…

Numerical Analysis · Mathematics 2026-02-12 Chanwook Park , Brian Kim , Jiachen Guo , Wing Kam Liu

We study pool-based active learning with abstention feedbacks, where a labeler can abstain from labeling a queried example with some unknown abstention rate. This is an important problem with many useful applications. We take a Bayesian…

Machine Learning · Statistics 2021-01-05 Cuong V. Nguyen , Lam Si Tung Ho , Huan Xu , Vu Dinh , Binh Nguyen

Financial market prediction and optimal trading strategy development remain challenging due to market complexity and volatility. Our research in quantum finance and reinforcement learning for decision-making demonstrates the approach of…

Quantum Physics · Physics 2025-01-24 Siddhant Dutta , Nouhaila Innan , Alberto Marchisio , Sadok Ben Yahia , Muhammad Shafique

We present a framework for the efficient computation of optimal Bayesian decisions under intractable likelihoods, by learning a surrogate model for the expected utility (or its distribution) as a function of the action and data spaces. We…

Machine Learning · Statistics 2023-11-13 Justin Alsing , Thomas D. P. Edwards , Benjamin Wandelt

Bayesian optimization (BO) provides a powerful framework for optimizing black-box, expensive-to-evaluate functions. It is therefore an attractive tool for engineering design problems, typically involving multiple objectives. Thanks to the…

Machine Learning · Computer Science 2024-09-06 Navid Ansari , Alireza Javanmardi , Eyke Hüllermeier , Hans-Peter Seidel , Vahid Babaei

Causal learning from data has received much attention recently. Bayesian networks can be used to capture causal relationships. There, one recovers a weighted directed acyclic graph in which random variables are represented by vertices, and…

Machine Learning · Computer Science 2026-01-06 Pavel Rytir , Ales Wodecki , Georgios Korpas , Jakub Marecek

The Best Estimate plus Uncertainty (BEPU) approach for nuclear systems modeling and simulation requires that the prediction uncertainty must be quantified in order to prove that the investigated design stays within acceptance criteria. A…

Computation · Statistics 2023-03-24 Ziyu Xie , Farah Alsafadi , Xu Wu

Inspired by the concept of active learning, we propose active inference$\unicode{x2013}$a methodology for statistical inference with machine-learning-assisted data collection. Assuming a budget on the number of labels that can be collected,…

Machine Learning · Statistics 2026-04-09 Tijana Zrnic , Emmanuel J. Candès

In this paper, we study a remote source coding scenario in which binary phase shift keying (BPSK) modulation sources are corrupted by additive white Gaussian noise (AWGN). An intermediate node, such as a relay, receives these observations…

Information Theory · Computer Science 2024-05-14 Yi Song , Kai Wan , Zhenyu Liao , Giuseppe Caire

Active learning provides a framework to adaptively query the most informative experiments towards learning an unknown black-box function. Various approaches of active learning have been proposed in the literature, however, they either focus…

Machine Learning · Computer Science 2023-10-03 Upala Junaida Islam , Kamran Paynabar , George Runger , Ashif Sikandar Iquebal

Bayesian inference for neural networks, or Bayesian deep learning, has the potential to provide well-calibrated predictions with quantified uncertainty and robustness. However, the main hurdle for Bayesian deep learning is its computational…

Machine Learning · Statistics 2023-09-07 Sanket Jantre , Nathan M. Urban , Xiaoning Qian , Byung-Jun Yoon

We propose MUMBO, the first high-performing yet computationally efficient acquisition function for multi-task Bayesian optimization. Here, the challenge is to perform efficient optimization by evaluating low-cost functions somehow related…

Machine Learning · Computer Science 2020-06-23 Henry B. Moss , David S. Leslie , Paul Rayson

Active learning is a practical field of machine learning that automates the process of selecting which data to label. Current methods are effective in reducing the burden of data labeling but are heavily model-reliant. This has led to the…

Machine Learning · Computer Science 2023-03-01 Sai Prathyush Katragadda , Tyler Cody , Peter Beling , Laura Freeman