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We consider Bayesian inference when only a limited number of noisy log-likelihood evaluations can be obtained. This occurs for example when complex simulator-based statistical models are fitted to data, and synthetic likelihood (SL) method…

Machine Learning · Statistics 2020-03-09 Marko Järvenpää , Michael Gutmann , Aki Vehtari , Pekka Marttinen

In environmental studies, realistic simulations are essential for understanding complex systems. Statistical emulation with Gaussian processes (GPs) in functional data models have become a standard tool for this purpose. Traditional…

Applications · Statistics 2024-09-26 R. Jacob Andros , Rajarshi Guhaniyogi , Devin Francom , Donatella Pasqualini

Operational flood forecasting still relies on high-fidelity two-dimensional hydraulic solvers, but their runtime can be prohibitive for rapid decision support on large urban floodplains. In parallel, AI-based surrogate models have shown…

Machine Learning · Computer Science 2026-04-06 Valentin Mercier , Serge Gratton , Lapeyre Corentin , Gwenaël Chevallet

This chapter presents specific aspects of Gaussian process modeling in the presence of complex noise. Starting from the standard homoscedastic model, various generalizations from the literature are presented: input varying noise variance,…

Optimization and Control · Mathematics 2024-12-11 Mickael Binois , Arindam Fadikar , Abby Stevens

Engineering disciplines often rely on extensive simulations to ensure that structures are designed to withstand harsh conditions while avoiding over-engineering for unlikely scenarios. Assessments such as Serviceability Limit State (SLS)…

Machine Learning · Computer Science 2025-12-19 Vegard Flovik , Sebastian Winter , Christian Agrell

Multistage stochastic programming deals with operational and planning problems that involve a sequence of decisions over time while responding to realizations that are uncertain. Algorithms designed to address multistage stochastic linear…

Optimization and Control · Mathematics 2020-10-26 Harsha Gangammanavar , Suvrajeet Sen

Reinforcement learning is a promising paradigm for solving sequential decision-making problems, but low data efficiency and weak generalization across tasks are bottlenecks in real-world applications. Model-based meta reinforcement learning…

Machine Learning · Computer Science 2021-02-17 Qi Wang , Herke van Hoof

Surrogate testing techniques have been used widely to investigate the presence of dynamical nonlinearities, an essential ingredient of deterministic chaotic processes. Traditional surrogate testing subscribes to statistical hypothesis…

Signal Processing · Electrical Eng. & Systems 2019-07-18 Radhakrishnan Nagarajan

Despite the recent progress in hyperparameter optimization (HPO), available benchmarks that resemble real-world scenarios consist of a few and very large problem instances that are expensive to solve. This blocks researchers and…

Machine Learning · Computer Science 2019-11-26 Aaron Klein , Zhenwen Dai , Frank Hutter , Neil Lawrence , Javier Gonzalez

This paper presents a particle swarm optimization algorithm that leverages surrogate modeling to replace the conventional global best solution with the minimum of an n-dimensional quadratic form, providing a better-conditioned dynamic…

Neural and Evolutionary Computing · Computer Science 2026-03-19 Maurizio Clemente , Marcello Canova

Multi-task Gaussian process (MTGP) is a well-known non-parametric Bayesian model for learning correlated tasks effectively by transferring knowledge across tasks. But current MTGPs are usually limited to the multi-task scenario defined in…

Machine Learning · Statistics 2024-10-28 Haitao Liu , Kai Wu , Yew-Soon Ong , Chao Bian , Xiaomo Jiang , Xiaofang Wang

Surrogates, models that mimic the behavior of programs, form the basis of a variety of development workflows. We study three surrogate-based design patterns, evaluating each in case studies on a large-scale CPU simulator. With surrogate…

Programming Languages · Computer Science 2021-12-14 Alex Renda , Yi Ding , Michael Carbin

Stochastic models of surface growth are usually based on randomly choosing a substrate site to perform iterative steps, as in the etching model [1]. In this paper I modify the etching model to perform sequential, instead of random,…

Statistical Mechanics · Physics 2017-07-19 Bernardo A. Mello

Stochastic Gradient Descent (SGD) and its variants are almost universally used to train neural networks and to fit a variety of other parametric models. An important hyperparameter in this context is the batch size, which determines how…

Optimization and Control · Mathematics 2023-12-05 Stefan Perko

A key drawback of the current generation of artificial decision-makers is that they do not adapt well to changes in unexpected situations. This paper addresses the situation in which an AI for aerial dog fighting, with tunable parameters…

Machine Learning · Statistics 2016-12-14 Brett Israelsen , Nisar Ahmed

The embedded ensemble propagation approach introduced in [49] has been demonstrated to be a powerful means of reducing the computational cost of sampling-based uncertainty quantification methods, particularly on emerging computational…

Computation · Statistics 2017-05-08 Marta D'Elia , Eric Phipps , Ahmad Rushdi , Mohamed Ebeida

Data generation remains a bottleneck in training surrogate models to predict molecular properties. We demonstrate that multitask Gaussian process regression overcomes this limitation by leveraging both expensive and cheap data sources. In…

Chemical Physics · Physics 2024-07-11 Katharine Fisher , Michael Herbst , Youssef Marzouk

This paper presents a novel methodology that uses surrogate models in the form of neural networks to reduce the computation time of simulation-based optimization of a reference trajectory. Simulation-based optimization is necessary when…

Optimization and Control · Mathematics 2023-03-31 Evelyn Ruff , Rebecca Russell , Matthew Stoeckle , Piero Miotto , Jonathan P. How

In a task where many similar inverse problems must be solved, evaluating costly simulations is impractical. Therefore, replacing the model $y$ with a surrogate model $y_s$ that can be evaluated quickly leads to a significant speedup. The…

Numerical Analysis · Mathematics 2024-05-15 Phillip Semler , Martin Weiser

Re-training a deep learning model each time a single data point receives a new label is impractical due to the inherent complexity of the training process. Consequently, existing active learning (AL) algorithms tend to adopt a batch-based…

Machine Learning · Computer Science 2023-12-19 Yunpyo An , Suyeong Park , Kwang In Kim