Bayesian optimization with cost-awareness using Gittins index.
problem Optimizing unknown functions with limited data evaluations and costs.
method Developed a connection between cost-aware Bayesian optimization and the Pandora's Box problem, using the Gittins index as an acquisition function.
result The Gittins index-based acquisition function performs well in cost-aware Bayesian optimization, especially in high dimensions.
SCoreBO improves Bayesian optimization by learning hyperparameters and self-correcting.
problem Efficient hyperparameter tuning for Gaussian process models in Bayesian optimization.
method Introduces SAL and SCoreBO, which prioritize hyperparameter learning and perform simultaneous optimization and learning.
result SCoreBO outperforms state-of-the-art methods on traditional benchmarks and atypical tasks.
Bayesian optimization sped up with scalable Gaussian processes.
problem Optimizing functions with derivative information and large datasets.
method Combines derivative acceleration and scalable Gaussian process models.
result Significant speedup in optimization convergence for large datasets.
When hyperparameter optimization of a machine learning algorithm is repeated for multiple datasets it is possible to transfer knowledge to an optimization run on a new dataset. We develop a new hyperparameter-free ensemble model for Bayesian optimization that is a generalization of two existing transfer learning extens…
Bayesian optimization simplifies bioprocess engineering experiments.
problem Complex biological systems and experimental uncertainty.
method Adapts classical Bayesian optimization for bioprocess engineering.
result Provides accessible introduction to Bayesian optimization for practitioners.
Unified Bayesian Optimization framework for model selection balancing effectiveness and training efficiency.
problem Balancing model effectiveness and training efficiency in machine learning model selection.
method Proposes a unified Bayesian Optimization framework to jointly optimize model effectiveness and training efficiency.
result Models selected using the proposed framework significantly improve training efficiency while maintaining strong effectiveness.
Proposes OBS, a method to adaptively combine Bayesian models online.
problem Learning optimal combinations of Bayesian models in online learning.
method Empirical Bayes lens, Online Bayesian Stacking (OBS).
result Establishes a novel connection between OBS and portfolio selection.
Bayesian optimization has become a popular method for high-throughput computing, like the design of computer experiments or hyperparameter tuning of expensive models, where sample efficiency is mandatory. In these applications, distributed and scalable architectures are a necessity. However, Bayesian optimization is mo…
Bayesian optimization method tackles combinatorial spaces, scalable for large data.
problem Optimization over combinatorial categorical spaces in natural sciences.
method Combines variational optimization and continuous relaxations for gradient-based optimization.
result Method performs comparably to state-of-the-art methods while scaling well.
This paper presents a Bayesian optimization method with exponential convergence without the need of auxiliary optimization and without the delta-cover sampling. Most Bayesian optimization methods require auxiliary optimization: an additional non-convex global optimization problem, which can be time-consuming and hard t…
Postprocessing reduces Bayesian optimization steps for global optima.
problem Slow convergence in Bayesian optimization for high-dimensional problems.
method Prohibits duplicated samples in the dataset postprocessing method.
result Significantly reduces the number of sequential steps to find the global optimum.
SILBO optimizes high-dimensional Bayesian optimization using semi-supervised embedding learning.
problem Bayesian optimization struggles with high-dimensional search spaces.
method SILBO uses semi-supervised dimension reduction to find a low-dimensional space for iterative optimization.
result SILBO outperforms existing methods on high-dimensional Bayesian optimization tasks.
Finding an optimal parameter of a black-box function is important for searching stable material structures and finding optimal neural network structures, and Bayesian optimization algorithms are widely used for the purpose. However, most of existing Bayesian optimization algorithms can only handle vector data and canno…
Bayesian coresets improve scalable Bayesian inference.
problem Efficiently approximating posterior inference with a subset of data.
method Sparsity constrained optimization and accelerated optimization methods.
result Explicit convergence rate guarantees and superior performance compared to state-of-the-art.
Deep learning models are full of hyperparameters, which are set manually before the learning process can start. To find the best configuration for these hyperparameters in such a high dimensional space, with time-consuming and expensive model training / validation, is not a trivial challenge. Bayesian optimization is a…
An adaptive dropout approach improves high-dimensional Bayesian optimization.
problem High-dimensional black-box optimization problems.
method Adaptive dropout of variables in the acquisition function.
result AdaDropout effectively tackles high-dimensional challenges and improves solution quality.
BARK optimizes black-box functions using Bayesian Additive Regression Trees.
problem Bayesian optimization of complex, black-box functions with uncertainty quantification.
method BART Kernel using tree agreement for posterior over piecewise-constant functions, explored using MCMC.
result BARK obtains samples of Gaussian processes for function distributions, enabling acquisition functions for optimization.
Bayesian optimization has shown to be a fundamental global optimization algorithm in many applications: ranging from automatic machine learning, robotics, reinforcement learning, experimental design, simulations, etc. The most popular and effective Bayesian optimization relies on a surrogate model in the form of a Gaus…
Bayesian optimization has emerged as a strong candidate tool for global optimization of functions with expensive evaluation costs. However, due to the dynamic nature of research in Bayesian approaches, and the evolution of computing technology, using Bayesian optimization in a parallel computing environment remains a c…
Bayesian optimization enhanced with conformal prediction for better outcome reliability.
problem Uncertainty and model misspecification in Bayesian optimization.
method Conformal prediction to provide coverage guarantees and Bayesian optimization to select queries.
result Significant improvement in query coverage without sacrificing sample-efficiency.
Bayesian optimization technique scaled using Vecchia approximations.
problem Scalability issue with Gaussian process surrogate models in Bayesian optimization.
method Adapted Vecchia approximation from spatial statistics to Gaussian processes, developed improvements and extensions.
result Methods compared favorably to state-of-the-art on various test functions and reinforcement learning problems.
Bayesian optimization is an effective method to efficiently optimize unknown objective functions with high evaluation costs. Traditional Bayesian optimization algorithms select one point per iteration for single objective function, whereas in recent years, Bayesian optimization for multi-objective optimization or multi…
Automatic Chemical Design is a framework for generating novel molecules with optimized properties. The original scheme, featuring Bayesian optimization over the latent space of a variational autoencoder, suffers from the pathology that it tends to produce invalid molecular structures. First, we demonstrate empirically …
Proposes MCBO for causal Bayesian optimization with model learning and regret bounds.
problem Maximizing downstream variables in unknown structural models.
method Model-based causal Bayesian optimization (MCBO) that learns full system models and trades off exploration and exploitation.
result First non-asymptotic bounds for CBO and practical implementation showing superior performance.
Bayesian optimization reduces computational effort in aircraft design optimization.
problem High computational cost in industrial aircraft design optimization.
method Constrained Bayesian optimization (Super Efficient Global Optimization with Mixture of Experts)
result Significant computational efficiency improvements over existing Isight optimizers.
NUBO simplifies Bayesian optimization for researchers.
problem Optimizing expensive functions like experiments and simulations.
method Bayesian optimization using Gaussian processes and acquisition functions.
result Transparency and user-friendly design for easy access.
Local Bayesian optimization shows strong performance and converges well, contrary to folklore.
problem Understanding the behavior and convergence of local Bayesian optimization methods.
method Studied the behavior of local optimization strategies and rigorously analyzed a specific algorithm.
result Local Bayesian optimization algorithms converge well and perform strongly, contrary to the folklore.
In typical applications of Bayesian optimization, minimal assumptions are made about the objective function being optimized. This is true even when researchers have prior information about the shape of the function with respect to one or more argument. We make the case that shape constraints are often appropriate in at…
The aim of black-box optimization is to optimize an objective function within the constraints of a given evaluation budget. In this problem, it is generally assumed that the computational cost for evaluating a point is large; thus, it is important to search efficiently with as low budget as possible. Bayesian optimizat…
The paper improves Bayesian optimization by calibrating uncertainty estimates.
problem Improper uncertainty estimates in Bayesian optimization when data is non-stationary.
method Proposes online learning algorithms to maintain calibration on non-i.i.d. data and integrates them into Bayesian optimization.
result Calibrated Bayesian optimization converges to better optima in fewer steps.
Bayesian optimization improves with transfer learning for aircraft design.
problem Cold start problem in Bayesian optimization for aircraft design.
method Ensemble of surrogate models using transfer learning in a constrained Bayesian optimization framework.
result Significant improvement in convergence and prediction accuracy.
Unified Bayesian-AI framework improves epidemiological risk prediction and uncertainty quantification.
problem Lack of calibrated uncertainty in machine learning models for epidemiology.
method Combines Bayesian prediction with Bayesian hyperparameter optimization using logistic regression and Gaussian-process Bayesian optimization.
result Unified Bayesian-AI framework provides reliable coverage and improved calibration, enhancing epidemiological decision making.
Bayesian optimization improves with nonstationary covariance functions.
problem Stationary covariance functions fail to capture prior information in high dimensions.
method Proposes nonstationary covariance functions to encode prior information and adaptively promote local exploration.
result Nonstationary covariance functions increase sample efficiency in high dimensions.
Framework optimizes multiple objectives considering input uncertainty.
problem Efficiently optimizing multiple objectives with input uncertainty.
method Robust Gaussian Process model and two-stage Bayesian optimization process.
result Found a robust Pareto frontier considering input uncertainty.
A new method for high-dimensional Bayesian optimization.
problem Challenges in extending BO to high dimensions.
method Expected Coordinate Improvement (ECI) criterion for high-dimensional Bayesian optimization.
result Significantly better results than standard BO and competitive results with state-of-the-art methods.
This paper proposes automatic tuning of Bayesian Optimization's acquisition function.
problem Optimizing black-box functions with noisy, expensive evaluations and hyperparameter tuning.
method Exploring heuristics to automatically tune acquisition functions in Bayesian Optimization.
result Demonstrates effectiveness of heuristics in automatic Bayesian Optimization.
New method optimizes processes under constraints using bivariate Gaussian models.
problem Optimizing processes with constraints using traditional methods.
method Developed a constrained expected improvement acquisition function using bivariate Gaussian process models.
result Demonstrated improved performance in a manufacturing cure process optimization.
Combines multi-fidelity and asynchronous batch methods for faster experimental design.
problem Designing optimal experimental setups for battery performance.
method Algorithm combining multi-fidelity and asynchronous batch Bayesian Optimization.
result Algorithm outperforms single-fidelity batch and multi-fidelity sequential methods.
Bayesian optimization for risk measures in uncertain decision-making.
problem Optimizing functions involving risk measures in uncertain environments.
method Modeling the objective function as a Gaussian process to improve sampling efficiency.
result Substantial improvement in sampling efficiency for risk measure optimization.
Bayesian uncertainty quantification is flawed, according to new research.
problem Flawed interpretation of Bayesian uncertainty quantification.
method Discussion of Bayesian updating and optimization-based perspective, proposing measures of quality.
result Bayesian uncertainty quantification is not coherent with optimization-based perspective.
mlr3mbo is a modular R toolbox for Bayesian optimization.
problem Efficiently solving optimization problems with multiple objectives and constraints.
method Bayesian optimization with support for multi-objective, multi-point proposals, parallelization, and custom algorithms.
result mlr3mbo performs competitively with state-of-the-art optimizers and robustly handles various optimization regimes.
Bayesian optimization learns DM preferences for multi-outcome experiments.
problem Optimizing expensive experiments with unknown utility functions and multiple outcomes.
method Alternates preference learning and Bayesian optimization, using pairwise comparisons.
result Preference exploration strategies improve Bayesian optimization performance.
New geometric metrics improve Bayesian optimization performance evaluation.
problem Current metrics lack geometric insights and cannot compare algorithms effectively.
method Proposed four geometric metrics: precision, recall, average degree, and average distance.
result Proposed metrics provide more detailed evaluation of Bayesian optimization.
Hyperparameter optimization and neural architecture search can become prohibitively expensive for regular black-box Bayesian optimization because the training and evaluation of a single model can easily take several hours. To overcome this, we introduce a comprehensive tool suite for effective multi-fidelity Bayesian o…
New Bayesian optimization models for efficient material screening.
problem Efficiently screening materials with expensive and cheap tests.
method Flexible multi-test Bayesian optimization models with complex relationships.
result Demonstrated power on synthetic and real data.
Vanilla Bayesian optimization performs well in high dimensions.
problem Bayesian optimization's poor performance in high-dimensional problems.
method Identified and addressed degeneracies, proposed scaling of Gaussian process lengthscale prior.
result Vanilla Bayesian optimization outperforms existing algorithms in high-dimensional tasks.
Bayesian optimization improved for nanophotonic device design.
problem Scalability and derivative information limitations in Bayesian optimization.
method Combining forward shape derivatives and iterative inversion scheme.
result Optimal designs of nanophotonic devices achieved with fewer iterations.
A new method combines Gaussian Processes to optimize under uncertainty.
problem Bayesian Optimization's weakness in fitting Gaussian Processes.
method Wasserstein Barycenter Gaussian Process (WBGP) approach.
result WBGP-BO converges to the optimum, improving on vanilla BO.