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Machine Learning is becoming more prevalent in science and engineering, but many approaches do not provide meaningful uncertainty estimates and predictions may also violate known physical knowledge. We propose a Bayesian framework to embed…

Machine Learning · Computer Science 2026-04-29 Matthew Marsh , Benoît Chachuat , Antonio del Rio Chanona

Bayesian Optimization is the state of the art technique for the optimization of black boxes, i.e., functions where we do not have access to their analytical expression nor its gradients, they are expensive to evaluate and its evaluation is…

Artificial Intelligence · Computer Science 2021-01-13 Eduardo C. Garrido Merchán , Luis C. Jariego Pérez

The process of calibrating computer models of natural phenomena is essential for applications in the physical sciences, where plenty of domain knowledge can be embedded into simulations and then calibrated against real observations. Current…

Machine Learning · Computer Science 2025-01-20 Rafael Oliveira , Dino Sejdinovic , David Howard , Edwin V. Bonilla

When applying Machine Learning techniques to problems, one must select model parameters to ensure that the system converges but also does not become stuck at the objective function's local minimum. Tuning these parameters becomes a…

Machine Learning · Statistics 2017-11-16 Lawrence Stewart , Mark Stalzer

As the bioinformatics field grows, it must keep pace not only with new data but with new algorithms. Here we contribute a thorough analysis of 13 state-of-the-art, commonly used machine learning algorithms on a set of 165 publicly available…

Quantitative Methods · Quantitative Biology 2018-01-09 Randal S. Olson , William La Cava , Zairah Mustahsan , Akshay Varik , Jason H. Moore

Training data attribution (TDA) techniques find influential training data for the model's prediction on the test data of interest. They approximate the impact of down- or up-weighting a particular training sample. While conceptually useful,…

Machine Learning · Computer Science 2023-11-01 Elisa Nguyen , Minjoon Seo , Seong Joon Oh

Deep learning has revolutionized many industries by enabling models to automatically learn complex patterns from raw data, reducing dependence on manual feature engineering. However, deep learning algorithms are sensitive to input data, and…

Machine Learning · Computer Science 2025-07-21 Mert Sehri , Zehui Hua , Francisco de Assis Boldt , Patrick Dumond

Bayesian Optimization is methodology used in statistical modelling that utilizes a Gaussian process prior distribution to iteratively update a posterior distribution towards the true distribution of the data. Finding unbiased informative…

Machine Learning · Computer Science 2021-01-05 Ruduan Plug

Some machine learning applications require continual learning - where data comes in a sequence of datasets, each is used for training and then permanently discarded. From a Bayesian perspective, continual learning seems straightforward:…

Machine Learning · Statistics 2019-02-19 Sebastian Farquhar , Yarin Gal

In recent times, neural networks have become a powerful tool for the analysis of complex and abstract data models. However, their introduction intrinsically increases our uncertainty about which features of the analysis are model-related…

Machine Learning · Statistics 2020-11-09 Tom Charnock , Laurence Perreault-Levasseur , François Lanusse

Bayesian coresets have emerged as a promising approach for implementing scalable Bayesian inference. The Bayesian coreset problem involves selecting a (weighted) subset of the data samples, such that the posterior inference using the…

Machine Learning · Statistics 2021-03-01 Jacky Y. Zhang , Rajiv Khanna , Anastasios Kyrillidis , Oluwasanmi Koyejo

Thanks to the increasing growth of computational power and data availability, the research in machine learning has advanced with tremendous rapidity. Nowadays, the majority of automatic decision making systems are based on data. However, it…

Machine Learning · Computer Science 2021-01-28 Elena Beretta , Antonio Vetrò , Bruno Lepri , Juan Carlos De Martin

We apply the PAC-Bayes theory to the setting of learning-to-optimize. To the best of our knowledge, we present the first framework to learn optimization algorithms with provable generalization guarantees (PAC-bounds) and explicit trade-off…

Machine Learning · Computer Science 2023-02-16 Michael Sucker , Peter Ochs

Bayesian methods for machine learning have been widely investigated, yielding principled methods for incorporating prior information into inference algorithms. In this survey, we provide an in-depth review of the role of Bayesian methods…

Artificial Intelligence · Computer Science 2016-09-16 Mohammad Ghavamzadeh , Shie Mannor , Joelle Pineau , Aviv Tamar

Bayesian models quantify uncertainty and facilitate optimal decision-making in downstream applications. For most models, however, practitioners are forced to use approximate inference techniques that lead to sub-optimal decisions due to…

Machine Learning · Statistics 2019-09-12 Tomasz Kuśmierczyk , Joseph Sakaya , Arto Klami

A Bayesian network is a graphical model that encodes probabilistic relationships among variables of interest. When used in conjunction with statistical techniques, the graphical model has several advantages for data analysis. One, because…

Machine Learning · Computer Science 2022-01-11 David Heckerman

We develop the theory and practice of an approach to modelling and probabilistic inference in causal networks that is suitable when application-specific or analysis-specific constraints should inform such inference or when little or no data…

Artificial Intelligence · Computer Science 2017-05-16 Paul Beaumont , Michael Huth

Artificial intelligence is used at various stages of the recruitment process to automatically select the best candidate for a position, with companies guaranteeing unbiased recruitment. However, the algorithms used are either trained by…

Artificial Intelligence · Computer Science 2025-05-06 Shuyu Wang , Angélique Saillet , Philomène Le Gall , Alain Lacroux , Christelle Martin-Lacroux , Vincent Brault

Domain similarity measures can be used to gauge adaptability and select suitable data for transfer learning, but existing approaches define ad hoc measures that are deemed suitable for respective tasks. Inspired by work on curriculum…

Computation and Language · Computer Science 2017-07-18 Sebastian Ruder , Barbara Plank

We propose a novel regularization algorithm to train deep neural networks, in which data at training time is severely biased. Since a neural network efficiently learns data distribution, a network is likely to learn the bias information to…

Computer Vision and Pattern Recognition · Computer Science 2019-04-16 Byungju Kim , Hyunwoo Kim , Kyungsu Kim , Sungjin Kim , Junmo Kim