TgAE constructs surrogates for inverse modeling with theory-guided training.
problem Creating accurate surrogates for inverse modeling with limited data.
method Theory-guided Auto-Encoder (TgAE) framework based on CNN architecture.
result TgAE surrogate achieves satisfactory accuracy and efficiency in uncertainty quantification and parameter inversion.
Enhances PCE surrogates using transfer learning for expensive simulations.
problem Over-sampling in PCE for expensive forward models.
method Transfer learning from similar tasks to a new task with limited training data.
result Improves scalability and accuracy of PCE surrogates.
We formalize and study the natural approach of designing convex surrogate loss functions via embeddings, for problems such as classification, ranking, or structured prediction. In this approach, one embeds each of the finitely many predictions (e.g.\ rankings) as a point in Rd, assigns the original loss val…
This paper develops efficient surrogate models for optimization of complex dynamical systems.
problem Computational expense in solving complex dynamical systems through numerical simulation.
method Combination of proper orthogonal decomposition and radial basis functions for constructing low-dimensional surrogate models.
result Surrogate models reduce computational time for optimization problems while maintaining accuracy.
Unified framework for sampling and approximating high-dimensional energy landscapes.
problem Sampling and approximating complex energy landscapes in physical systems with constraints and energy barriers.
method Formulates a minimax optimization problem that jointly adapts surrogate approximation and adaptive sampling.
result Demonstrates effectiveness in biomolecular systems with up to 30 collective variables.
This work improves surrogate models for balancing accuracy and cost in multi-fidelity methods.
problem Balancing accuracy and computational cost in multi-fidelity methods.
method Develops context-aware surrogate models for multi-fidelity importance sampling and Bayesian inverse problems.
result Context-aware surrogate models can lead to runtime speedups of up to one order of magnitude.
We establish linear regret bounds for convex smooth losses using Fenchel-Young losses.
problem Establishing linear regret bounds for convex smooth losses.
method Constructing a convex smooth surrogate loss using Fenchel-Young losses generated by the convolutional negentropy.
result We derive a smooth loss with a linear surrogate regret bound.
The paper develops a faster surrogate model for simulators using hybrid methods.
problem The need for faster validation of automotive technologies using simulators.
method Testing classical methods and building hybrid models combining them.
result A hybrid surrogate model outperforms classical methods in multivariate time series prediction.
A new training method uses multilevel minimization for machine learning.
problem Training machine learning models with high variance and low efficiency.
method Constructs a multilevel hierarchy by reducing sample size and internally trains surrogate models with fewer samples.
result The multilevel method enhances model training efficiency compared to subsampled Newton's and variance reduction methods.
Polynomial chaos surrogates handle intrinsic noise in stochastic models.
problem Handling intrinsic noise in stochastic models with parametric uncertainty.
method Developed a PCE surrogate on a joint space of intrinsic and parametric uncertainty using Rosenblatt transformations and Karhunen-Loeve expansion.
result Quantified intrinsic noise contribution to model output variance using PCE Sobol indices.
This study proposes an efficient surrogate for Darcy flow inverse problems.
problem Efficiently constructing accurate surrogate models for high-dimensional complex inverse problems.
method Sequential Bayesian design strategy to acquire a locally accurate surrogate model focusing on high-probability regions.
result The proposed method accelerates inversion accuracy and computational speed.
MFNets constructs efficient multifidelity surrogates from diverse information sources.
problem Creating accurate surrogates from multiple, potentially costly or inaccurate data sources.
method Directed acyclic graph of connections, gradient-based minimization of least squares objective, flexible information source structure.
result Error reduction by orders-of-magnitude, especially in low-data scenarios.
New method simplifies checking consistency of differentiable loss functions.
problem Verifying consistency of differentiable loss functions is difficult.
method Developed a new approach called strong indirect elicitation (strong IE) to simplify checking consistency.
result Strong IE is equivalent to calibration for strongly convex, differentiable surrogates.
Surrogate model construction for vector-valued outputs
problem Improving surrogate model accuracy and stability for complex engineering systems
method Adaptive sequential sampling for polynomial chaos expansion
result Improves surrogate accuracy and stability
A method constructs a stochastic surrogate from dimensionality reduction results for high-dimensional uncertainty quantification.
problem High-dimensional uncertainty quantification with physics-based models.
method Constructs a stochastic surrogate model from dimensionality reduction results.
result Preserves convenience of sequential dimensionality reduction and Gaussian process regression while overcoming limitations.
A new framework improves reinforcement learning algorithms with policy guarantees.
problem Designing efficient and stable reinforcement learning algorithms.
method A general framework (FMA-PG) based on functional mirror ascent that constructs surrogate functions enabling policy improvement guarantees.
result The proposed framework enables policy improvement guarantees that hold regardless of policy parameterization, and recovers important heuristics.
Proposes a method to refine PDE-driven high-dimensional rare-event simulation.
problem Challenges in constructing accurate surrogates for rare-event simulation.
method Adaptive importance sampling framework that refines a locally constructed surrogate.
result Achieves accuracy comparable to true-model adaptive importance sampling with fewer high-fidelity evaluations.
LazyDINO efficiently solves high-dimensional Bayesian inverse problems with fast and scalable solutions.
problem High-dimensional nonlinear Bayesian inverse problems with expensive parameter-to-observable maps.
method LazyDINO combines derivative-informed neural surrogates and lazy map variational inference for efficient posterior approximation.
result Significant cost reduction in amortized Bayesian inversion, achieving one to two orders of magnitude improvement.
We provide novel theoretical insights on structured prediction in the context of efficient convex surrogate loss minimization with consistency guarantees. For any task loss, we construct a convex surrogate that can be optimized via stochastic gradient descent and we prove tight bounds on the so-called "calibration func…
Bayesian surrogate models reduce uncertainty in high-dimensional design optimisation problems.
problem Uncertainty in high-dimensional inputs for complex computational models.
method Variational Bayesian inference for constructing statistical surrogates with Gaussian process priors and KL divergence for approximation.
result The RDVGP surrogate provides accurate and versatile approximations for robust structural optimisation.
Learning with non-modular losses is an important problem when sets of predictions are made simultaneously. The main tools for constructing convex surrogate loss functions for set prediction are margin rescaling and slack rescaling. In this work, we show that these strategies lead to tight convex surrogates iff the unde…
Motivated by applications in hyperspectral imaging we investigate methods for approximating a high-dimensional non-negative matrix Y by a product of two lower-dimensional, non-negative matrices K and X. This so-called non-negative matrix factorization is based…
Study characterizes harmful low-fidelity data sources for surrogate models.
problem Identifying which low-fidelity data sources to use in constructing surrogate models.
method Employed benchmark filtering techniques to assess harmful sources using limited data.
result Provided guidelines for using low-fidelity sources in an industrial setting.
We present a probabilistic deep learning methodology that enables the construction of predictive data-driven surrogates for stochastic systems. Leveraging recent advances in variational inference with implicit distributions, we put forth a statistical inference framework that enables the end-to-end training of surrogat…
Proposes a method for inference in high-dimensional classification with non-differentiable surrogate losses.
problem Lack of inference procedures for identifying driving factors in high-dimensional classification with non-differentiable surrogate losses.
method Kernel-smoothed decorrelated score and cross-fitted version for hypothesis tests and interval estimators.
result Valid and superior inference methods for high-dimensional classification with non-differentiable surrogate losses.
Gaussian process models simplify neural network behavior for easier understanding.
problem Understanding and predicting the behavior of deep learning systems.
method Constructing surrogate models using Gaussian processes from finite neural networks.
result Surrogate models capture phenomena like spectral bias and predict generalization well.
The optimization of algorithm (hyper-)parameters is crucial for achieving peak performance across a wide range of domains, ranging from deep neural networks to solvers for hard combinatorial problems. The resulting algorithm configuration (AC) problem has attracted much attention from the machine learning community. Ho…
We propose a robust adversarial prediction framework for general multiclass classification. Our method seeks predictive distributions that robustly optimize non-convex and non-continuous multiclass loss metrics against the worst-case conditional label distributions (the adversarial distributions) that (approximately) m…
Adaptive learning method for stochastic programs with latent uncertainty.
problem Stochastic programming problems with implicitly decision-dependent uncertainty.
method Adaptive learning-based surrogate method integrating simulation and statistical estimates.
result Established non-asymptotic convergence rate analysis for enhanced stability and efficiency.
EPGP surrogate outperforms finite elements in solving wave equations.
problem Benchmarking Gaussian Process surrogates vs. finite elements for wave equation solutions.
method EPGP uses penalized least squares and exponential-polynomial bases; CN-FEM employs Crank--Nicolson time stepping.
result EPGP achieves lower error than CN-FEM under matched degrees-of-freedom.
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.
The paper compares multi-fidelity methods for Gaussian process surrogates in physics.
problem Limited availability of data due to expensive simulations.
method Extending non-linear autoregressive methods to multi-fidelity models and incorporating delay terms.
result Multi-fidelity methods generally have smaller prediction error for the same computational cost.
Researchers develop methods to reduce simulation costs for cardiovascular modeling.
problem High computational cost of high-fidelity simulations in cardiovascular modeling.
method Use low-fidelity approximations, neural networks, and normalizing flows to construct surrogates.
result Validated methods reduce computational cost while maintaining accuracy.
Improved surrogate model for field-valued QoIs using LF and HF simulations.
problem Accurate and efficient modeling of field-valued quantities under uncertain inputs.
method Bifidelity Karhunen-Loève expansion with active learning.
result Consistent improvements in predictive accuracy and sample efficiency.
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 method optimises learning via surrogate PAC-Bayes bounds.
problem Computational intractability of optimising generalisation bounds.
method Iteratively optimising surrogate training objectives derived from PAC-Bayes bounds.
result Iteratively optimising surrogates implies optimising original generalisation bounds.
Bayesian model uses physics constraints for semi-supervised surrogate learning.
problem Lack of labeled data in fine-grained model training.
method Probabilistic generative model with virtual observables.
result Enables semi-supervised training with unlabeled data.
We present an adaptive approach to the construction of Gaussian process surrogates for Bayesian inference with expensive-to-evaluate forward models. Our method relies on the fully Bayesian approach to training Gaussian process models and utilizes the expected improvement idea from Bayesian global optimization. We adapt…
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.
New method for testing directed graphs using surrogate data.
problem No established method for statistical testing on directed graphs.
method Define directed graph wide-sense stationary signals, generate surrogates preserving covariance, construct null distributions.
result Feasibility and superiority of new approach over existing methods.
This work improves neural likelihood surrogates for stochastic models with a score-augmented loss.
problem Efficient parameter inference for stochastic models with computationally expensive likelihood functions.
method Score-augmented loss function for neural network likelihood surrogates.
result Improves surrogate quality at a lower computational cost compared to generating more data.
Engineers widely use Gaussian process regression framework to construct surrogate models aimed to replace computationally expensive physical models while exploring design space. Thanks to Gaussian process properties we can use both samples generated by a high fidelity function (an expensive and accurate representation …
Consider a classification problem where we have both labeled and unlabeled data available. We show that for linear classifiers defined by convex margin-based surrogate losses that are decreasing, it is impossible to construct any semi-supervised approach that is able to guarantee an improvement over the supervised clas…
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.
We study critera for a pair ({Xn}, {Yn}) of approximating processes which guarantee closeness of moments by generalizing known results for the special case that Yn=Y for all n and Xn converges to Y in probability. This problem especially arises when working with surrogate models, e.g. …
SCIENCE improves prediction intervals for individual causal effects.
problem Wide prediction intervals limit practical utility of causal inference.
method Surrogate-assisted conformal inference for efficient individual causal effects.
result SCIENCE produces more efficient prediction intervals for individual causal effects.
This paper improves surrogate modeling for noisy data.
problem Uncertainty in high-fidelity models due to noise.
method Comprehensive framework for multi-fidelity surrogate modeling.
result Estimates uncertainty in high-fidelity model predictions.
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.