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Mixed-integer programming (MIP) is a powerful paradigm for modeling and solving various important combinatorial optimization problems. Recently, learning-based approaches have shown a potential to speed up MIP solving via offline training…

Artificial Intelligence · Computer Science 2025-07-24 Junyang Cai , Serdar Kadioglu , Bistra Dilkina

Bayesian optimization is a sequential method for minimizing objective functions that are expensive to evaluate and about which few assumptions can be made. By using all gathered data to train a Gaussian process model for the function and…

Machine Learning · Computer Science 2026-05-07 Jesse Schneider , William J. Welch

Trading off exploration and exploitation in an unknown environment is key to maximising expected return during learning. A Bayes-optimal policy, which does so optimally, conditions its actions not only on the environment state but on the…

Machine Learning · Computer Science 2020-03-02 Luisa Zintgraf , Kyriacos Shiarlis , Maximilian Igl , Sebastian Schulze , Yarin Gal , Katja Hofmann , Shimon Whiteson

This paper presents an efficient algorithm for the least-squares problem using the point-to-plane cost, which aims to jointly optimize depth sensor poses and plane parameters for 3D reconstruction. We call this least-squares problem…

Computer Vision and Pattern Recognition · Computer Science 2020-08-18 Lipu Zhou , Daniel Koppel , Hui Ju , Frank Steinbruecker , Michael Kaess

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

Bayesian Optimization (BO) is a powerful tool for optimizing complex non-linear systems. However, its performance degrades in high-dimensional problems with tightly coupled parameters and highly asymmetric objective landscapes, where…

Machine Learning · Computer Science 2026-02-12 Aashwin Mishra , Matt Seaberg , Ryan Roussel , Daniel Ratner , Apurva Mehta

Bayesian optimization is a popular black-box optimization method for parameter learning in control and robotics. It typically requires an objective function that reflects the user's optimization goal. However, in practical applications,…

Robotics · Computer Science 2026-04-03 Johanna Menn , David Stenger , Sebastian Trimpe

We introduce Deep Adaptive Design (DAD), a method for amortizing the cost of adaptive Bayesian experimental design that allows experiments to be run in real-time. Traditional sequential Bayesian optimal experimental design approaches…

Machine Learning · Statistics 2021-06-14 Adam Foster , Desi R. Ivanova , Ilyas Malik , Tom Rainforth

Hyperparameter tuning of deep learning models can lead to order-of-magnitude performance gains for the same amount of compute. Despite this, systematic tuning is uncommon, particularly for large models, which are expensive to evaluate and…

Bandit methods for black-box optimisation, such as Bayesian optimisation, are used in a variety of applications including hyper-parameter tuning and experiment design. Recently, \emph{multi-fidelity} methods have garnered considerable…

Machine Learning · Statistics 2017-03-21 Kirthevasan Kandasamy , Gautam Dasarathy , Jeff Schneider , Barnabas Poczos

Bayesian Optimization (BO) is a class of black-box, surrogate-based heuristics that can efficiently optimize problems that are expensive to evaluate, and hence admit only small evaluation budgets. BO is particularly popular for solving…

Machine Learning · Computer Science 2024-06-25 Maria Laura Santoni , Elena Raponi , Renato De Leone , Carola Doerr

Bayesian optimization (BO) is a model-based approach to sequentially optimize expensive black-box functions, such as the validation error of a deep neural network with respect to its hyperparameters. In many real-world scenarios, the…

Machine Learning · Statistics 2019-10-17 Valerio Perrone , Iaroslav Shcherbatyi , Rodolphe Jenatton , Cedric Archambeau , Matthias Seeger

We provide a MATLAB toolbox, BFDA, that implements a Bayesian hierarchical model to smooth multiple functional data with the assumptions of the same underlying Gaussian process distribution, a Gaussian process prior for the mean function,…

Other Statistics · Statistics 2017-02-06 Jingjing Yang , Peng Ren

Many high-dimensional online decision-making problems can be modeled as stochastic sparse linear bandits. Most existing algorithms are designed to achieve optimal worst-case regret in either the data-rich regime, where polynomial dependence…

Machine Learning · Computer Science 2025-10-29 Ludovic Schwartz , Hamish Flynn , Gergely Neu

This paper introduces PyMatching, a fast open-source Python package for decoding quantum error-correcting codes with the minimum-weight perfect matching (MWPM) algorithm. PyMatching includes the standard MWPM decoder as well as a variant,…

Quantum Physics · Physics 2021-07-14 Oscar Higgott

Bayesian optimization (BO) has become an effective approach for black-box function optimization problems when function evaluations are expensive and the optimum can be achieved within a relatively small number of queries. However, many…

Machine Learning · Statistics 2018-08-06 Zi Wang , Clement Gehring , Pushmeet Kohli , Stefanie Jegelka

Improving the efficiency of Neural Architecture Search (NAS) is a challenging but significant task that has received much attention. Previous works mainly adopted the Differentiable Architecture Search (DARTS) and improved its search…

Computer Vision and Pattern Recognition · Computer Science 2023-12-25 Chongjun Tu , Peng Ye , Weihao Lin , Hancheng Ye , Chong Yu , Tao Chen , Baopu Li , Wanli Ouyang

PAC-Bayes has recently re-emerged as an effective theory with which one can derive principled learning algorithms with tight performance guarantees. However, applications of PAC-Bayes to bandit problems are relatively rare, which is a great…

Machine Learning · Computer Science 2023-09-26 Hamish Flynn , David Reeb , Melih Kandemir , Jan Peters

PyGALAX is a Python package for geospatial analysis that integrates automated machine learning (AutoML) and explainable artificial intelligence (XAI) techniques to analyze spatial heterogeneity in both regression and classification tasks.…

Machine Learning · Computer Science 2026-02-03 Pingping Wang , Yihong Yuan , Lingcheng Li , Yongmei Lu

Making sense of a dataset in an automatic and unsupervised fashion is a challenging problem in statistics and AI. Classical approaches for {exploratory data analysis} are usually not flexible enough to deal with the uncertainty inherent to…