Generative Bayesian Computation improves surrogates for expensive simulations.
problem Limitations of Gaussian process surrogates in handling complex, non-stationary data.
method Generative Bayesian Computation via Implicit Quantile Networks (IQNs).
result Generative Bayesian Computation outperforms traditional Gaussian process methods across various benchmarks.
Develops active learning for Jump Gaussian Process models.
problem Optimizing experimental designs and steering data acquisition in complex systems.
method Active learning of piecewise Jump Gaussian Process (Jump GP) models, accounting for model bias.
result Demonstrates the importance of accounting for model bias in Jump GP models.
LOL-GP model improves surrogate modeling of expensive simulators.
problem Costly computer simulations for complex systems.
method Local transfer learning Gaussian process.
result Improved surrogate performance over existing methods.
Adapts Gaussian process surrogate evaluation with conformal prediction for better coverage guarantees.
problem Uncertainty quantification and model specification issues in Gaussian process surrogate models.
method Adaptive cross-conformal prediction intervals using posterior standard deviation weighting.
result Conformal prediction intervals provide significant correlation with surrogate model error and frequentist coverage guarantees.
Bayesian optimization uses BNNs as efficient surrogate models for expensive function evaluations.
problem Optimizing expensive objective functions using Gaussian process surrogates.
method Study of Bayesian neural networks (BNNs) as alternatives to standard Gaussian process (GP) surrogates for optimization.
result Infinite-width BNNs are particularly promising, especially in high dimensions.
PDMP samplers improve Bayesian PDE coefficient inference.
problem Efficient Bayesian inference in non-linear inverse problems with expensive likelihoods.
method Piecewise deterministic Markov process (PDMP) with surrogate-assisted thinning.
result PDMP samplers achieve higher accuracy and efficiency than traditional methods.
New GP kernel handles mixed-categorical data, improving model accuracy.
problem Improving Gaussian process models for mixed-categorical data.
method Extends continuous exponential kernels to handle mixed-categorical variables.
result The proposed GP model gives higher likelihood and smaller residual error.
This study improves hyperparameter optimization for categorical and non-normal data.
problem Bayesian hyperparameter optimization struggles with categorical hyperparameters and non-normal data.
method Integrates conformalized quantile regression to address estimation weaknesses and provides robust calibration guarantees.
result Quantile surrogate architectures and acquisition functions yield superior performance compared to existing methods.
PFNs4BO uses neural processes for flexible Bayesian Optimization.
problem Efficient surrogate modeling for Bayesian Optimization.
method In-context learning of PFNs to approximate posterior predictive distribution.
result PFNs outperform traditional GP, BNN in BO tasks.
Optimal kernel learning improves GP regression for high-dimensional inputs.
problem High computational costs and low prediction accuracy in GP models with many inputs.
method Approximates GP covariance with a convex combination of kernel functions, identifying active variables.
result Improves prediction accuracy and correctly identifies active input variables.
This paper proposes an ensemble of Gaussian processes for Bayesian optimization.
problem Optimizing expensive black-box functions with limited evaluations.
method An ensemble of Gaussian processes (EGP) for adaptive surrogate modeling, combined with Thompson sampling (TS) for function sampling.
result The proposed EGP-TS method achieves better optimization results than single-GP approaches.
Surrogate models enhance digital twin technology for dynamic systems.
problem Lack of clarity and effective methods for digital twin applications.
method Exploration of Gaussian process (GP) emulators within digital twin framework.
result Surrogate models like GP emulators are effective for digital twin development.
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.
Gradient-informed BNNs improve Bayesian optimization performance.
problem Improving Bayesian optimization with gradient information.
method Gradient-informed loss function for Bayesian neural networks.
result Gradient information enhances BNN predictions and BO convergence.
Deep Gaussian Processes improve likelihood-free inference for complex distributions.
problem Limited flexibility of Bayesian Optimization with GPs for multimodal distributions.
method Proposes Deep Gaussian Processes (DGPs) as a surrogate model for likelihood-free inference.
result DGPs outperform GPs on multimodal distributions while maintaining comparable performance on unimodal cases.
New BdryMatérn GP model for reliable boundary integration on irregular domains.
problem Incorporating boundary information in Gaussian process models for complex phenomena.
method Proposes a novel BdryMatérn GP framework with a new covariance kernel derived via path integral and stochastic PDE.
result Sample paths from the BdryMatérn GP satisfy desired boundaries with smoothness control on derivatives.
Co-learning BO improves global optimization with limited samples.
problem Suboptimal solutions in Bayesian optimization due to poor surrogate accuracy.
method Build multiple Gaussian process models to complement each other and reduce prediction errors.
result CLBO achieves more efficient global optimization with fewer samples.
SBBO optimizes complex spaces using sampling-based models.
problem Optimizing complex spaces with discrete variables.
method Simulation Based Bayesian Optimization (SBBO) using sampling-based surrogate models.
result Empirical effectiveness of SBBO in combinatorial optimization.
Improved ABC method using Gaussian processes for more efficient simulations and uncertainty quantification.
problem Efficiently simulate and quantify uncertainty in ABC methods.
method Batch-sequential Bayesian experimental design, numerical method for uncertainty quantification, improved GP modeling assumptions.
result Improved framework for ABC methods that quantifies uncertainty and parallelizes simulations.
New model improves QGP simulation efficiency and accuracy.
problem Limited QGP simulation runs due to high computational cost.
method Additive Multi-Index Gaussian process (AdMIn-GP) model.
result Significantly improved surrogate modeling performance.
Bayesian optimization improved with variational last layer training.
problem Bayesian optimization performance on complex input correlations.
method Connecting variational Bayesian last layer training to exact conditioning in Gaussian processes, developing an efficient online training algorithm.
result VBLL networks significantly outperform GPs and match well-tuned GPs on benchmark tasks.
Improved aircraft structure prediction using derivative-enhanced sparse Cholesky GP method.
problem Accurate real-time prediction of aircraft structure performance.
method Combining derivative data with a modified dynamic sparse Cholesky linear system solver.
result Improved prediction accuracy of aircraft structure performance.
Automatically searching for optimal hyperparameter configurations is of crucial importance for applying deep learning algorithms in practice. Recently, Bayesian optimization has been proposed for optimizing hyperparameters of various machine learning algorithms. Those methods adopt probabilistic surrogate models like G…
Novel framework for efficient Gaussian process models with monotonicity constraints.
problem Improving predictive accuracy and reducing uncertainty in high-dimensional problems with monotonicity constraints.
method Virtual point-based framework using regularized linear randomize-then-optimize (RLRTO) and No U-Turn Sampler (NUTS) for efficient sampling.
result Significant improvements in computational efficiency with the RLRTO method and NUTS enhancements.
The paper improves Gaussian process models for efficient batch optimization.
problem Poor scaling and optimization loop issues in Gaussian process models.
method Dual GP parameterization for linear scaling and non-Gaussian likelihood updates.
result Extends sparse models to greedy batch fantasizing acquisition functions.
This work studies how an AI-controlled dog-fighting agent with tunable decision-making parameters can learn to optimize performance against an intelligent adversary, as measured by a stochastic objective function evaluated on simulated combat engagements. Gaussian process Bayesian optimization (GPBO) techniques are dev…
New approach separates VAE and GP for better molecular optimisation.
problem Optimizing complex structured domains like molecular spaces using VAEs.
method Decouples VAE for structure generation and GP for predictive modelling, combining them with a Bayesian update rule.
result Improves identification of high-potential candidates in molecular optimisation.
A new method reduces the time needed for Bayesian optimization by a factor of 10-100.
problem Efficiently scaling Bayesian optimization to many observations.
method Epistemic Nearest Neighbors (ENN) for hyperparameter fitting and UCB acquisition.
result TuRBO-ENN reduces proposal time by one to two orders of magnitude compared to TuRBO.
Scientists often express their understanding of the world through a computationally demanding simulation program. Analyzing the posterior distribution of the parameters given observations (the inverse problem) can be extremely challenging. The Approximate Bayesian Computation (ABC) framework is the standard statistical…
Efficient surrogate modeling for complex PDEs with physical laws.
problem High computational cost of repeated PDE simulations.
method LC-prior Gaussian process with POD and RBF-FD.
result Significantly reduced computational cost and improved accuracy.
A new tree-based model improves uncertainty estimation in sequential optimization.
problem Improving uncertainty estimation in sequential model-based optimization.
method Proposed a new ensemble of randomized trees (BwO forest) with bagging and oversampling.
result BwO forest outperforms existing tree-based models in various optimization scenarios.
MF BO combines MFO and BO to optimize expensive problems.
problem Expensive engineering design optimization problems.
method Gaussian process-based multi-fidelity surrogates and acquisition functions.
result Structured understanding of MF BO.
A new method combines MCMC results to avoid failures in parallel computing.
problem Parallel MCMC's sensitivity to subposterior sampling issues leads to failures.
method Parallel Active Inference (PAI) uses Gaussian Process (GP) surrogate modeling and active learning.
result PAI successfully combines MCMC results where previous methods fail.
A new Metropolis-Hastings algorithm uses Gaussian Processes to speed up sampling from complex models.
problem Sampling from computationally expensive probabilistic models.
method Two-stage Metropolis-Hastings algorithm with a Gaussian Process surrogate model.
result The approach learns the target distribution while sampling, eliminating the need for pre-training.
A new Bayesian optimization method using Poisson process for better noise robustness.
problem Estimating relative rankings of candidates in noisy environments.
method Poisson process-based ranking surrogate model and tailored acquisition functions.
result PoPBO framework shows lower computation costs and better robustness to noise compared to GP-BO.
Numerous engineering problems of interest to the industry are often characterized by expensive black-box objective experiments or computer simulations. Obtaining insight into the problem or performing subsequent optimizations requires hundreds of thousands of evaluations of the objective function which is most often a …
Probabilistic Bisection Algorithm performs root finding based on knowledge acquired from noisy oracle responses. We consider the generalized PBA setting (G-PBA) where the statistical distribution of the oracle is unknown and location-dependent, so that model inference and Bayesian knowledge updating must be performed s…
Focalized GP improves Bayesian optimization for large datasets.
problem Efficiently scaling Bayesian optimization to large datasets and online samples.
method Proposes focalized sparse Gaussian processes and FocalBO algorithm.
result FocalBO achieves state-of-the-art performance on complex optimization problems.
Local GP approach improves simulation efficiency for large datasets.
problem High computational cost of traditional Gaussian processes for large-scale simulations.
method Hybridizes global and local GP approximations with strategic placement of inducing points.
result Local inducing points enhance accuracy and computational efficiency.
DeepRV accelerates spatiotemporal inference using neural priors.
problem Intractable scaling of Gaussian Processes for large datasets.
method Neural-network surrogate replacing GP prior sampling with O(N2) complexity. result DeepRV achieves highest fidelity to exact GPs while significantly speeding up inference.
A hybrid model for Bayesian optimization handles mixed variables using MCTS for categorical and GP for continuous.
problem Optimizing functions with mixed variable types (continuous, integer, categorical).
method Merges MCTS for categorical and GP for continuous variables, integrates UCTS search strategy, and dynamically selects kernels.
result Hybrid models outperform traditional methods in Bayesian optimization.
We use diffusion models to sample from complex GP priors in climate data.
problem Sampling from non-stationary Gaussian process priors is computationally hard.
method Replace GP prior with a diffusion model surrogate and use training-free guidance algorithms.
result Generated distributions are close to GP priors and can be fine-tuned.
BKTF uses tensor factorization for Bayesian optimization of complex functions.
problem Complex functions with nonstationary, nonseparable, and multimodal features.
method Bayesian Kernelized Tensor Factorization (BKTF) approximates complex functions using a low-rank tensor CP decomposition with GP priors.
result BKTF provides flexible and effective surrogate modeling with uncertainty quantification.
KrigHedge uses Gaussian processes to approximate option Greeks efficiently.
problem Computing option Greeks in complex models is computationally expensive or inexact.
method Gaussian process surrogates trained on noisy option prices, with analytical differentiation for sensitivities.
result The method provides accurate Delta approximations and quantifies hedging loss.
Two ML approaches learn local volatility surfaces from option prices, with GP being arbitrage-free.
problem Interpolating European vanilla option prices to create a local volatility surface.
method Gaussian process regression and neural net with arbitrage penalties.
result GP approach is arbitrage-free and yields best out-of-sample calibration error.
We consider Bayesian inference problems with computationally intensive likelihood functions. We propose a Gaussian process (GP) based method to approximate the joint distribution of the unknown parameters and the data. In particular, we write the joint density approximately as a product of an approximate posterior dens…
GSSBO reduces GP fitting time in Bayesian optimization.
problem High computational cost of fitting Gaussian process surrogate models in Bayesian optimization.
method Gradient-based sample selection to reduce the number of samples used in GP fitting.
result Sublinear regret bounds and significant reduction in computational cost.
This thesis advances algorithms and software for QMC, GP, and sciML.
problem Efficient high-dimensional integration, interpolation, and PDE modeling.
method Developed new algorithms and software for QMC, GP, and sciML.
result Efficient and accurate methods for high-dimensional problems.