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Optimization-based samplers such as randomize-then-optimize (RTO) [2] provide an efficient and parallellizable approach to solving large-scale Bayesian inverse problems. These methods solve randomly perturbed optimization problems to draw…

统计计算 · 统计学 2019-10-29 Johnathan Bardsley , Tiangang Cui , Youssef Marzouk , Zheng Wang

Particle-in-cell simulations are among the most essential tools for the modeling and optimization of laser-plasma accelerators, since they reproduce the physics from first principles. However, the high computational cost associated with…

This paper presents a methodological framework for training, self-optimising, and self-organising surrogate models to approximate and speed up multiobjective optimisation of technical systems based on multiphysics simulations. At the hand…

Computer simulations have become an important tool across the biomedical sciences and beyond. For many important problems several different models or hypotheses exist and choosing which one best describes reality or observed data is not…

定量方法 · 定量生物学 2010-01-20 Tina Toni , Michael P. H. Stumpf

Realizing high-throughput aberration-corrected Scanning Transmission Electron Microscopy (STEM) exploration of atomic structures requires rapid tuning of multipole probe correctors while compensating for the inevitable drift of the optical…

机器学习 · 计算机科学 2026-01-28 Utkarsh Pratiush , Austin Houston , Richard Liu , Gerd Duscher , Sergei Kalinin

The analysis of computer models can be aided by the construction of surrogate models, or emulators, that statistically model the numerical computer model. Increasingly, computer models are becoming stochastic, yielding different outputs…

统计方法学 · 统计学 2020-04-10 Evan Baker , Peter Challenor , Matt Eames

Experiments in engineering are typically conducted in controlled environments where parameters can be set to any desired value. This assumes that the same applies in a real-world setting -- an assumption that is often incorrect as many…

机器学习 · 计算机科学 2025-11-18 Mike Diessner , Kevin J. Wilson , Richard D. Whalley

Gaussian stochastic process emulation is a powerful tool for approximating computationally intensive computer models. However, estimation of parameters in the GaSP emulator is a challenging task. No closed-form estimator is available, and…

统计计算 · 统计学 2026-05-06 Mengyang Gu , Jesús Palomo , James O. Berger

Many statistical models can be simulated forwards but have intractable likelihoods. Approximate Bayesian Computation (ABC) methods are used to infer properties of these models from data. Traditionally these methods approximate the posterior…

机器学习 · 统计学 2018-04-03 George Papamakarios , Iain Murray

We introduce Post-Optimization Model Edit (POME), a new algorithm that enhances the performance of fine-tuned large language models using only their pretrained and fine-tuned checkpoints, without requiring extra data or further…

机器学习 · 计算机科学 2025-10-09 Yong Liu , Di Fu , Yang Luo , Zirui Zhu , Minhao Cheng , Cho-Jui Hsieh , Yang You

Stochastic simulation algorithms such as likelihood weighting often give fast, accurate approximations to posterior probabilities in probabilistic networks, and are the methods of choice for very large networks. Unfortunately, the special…

人工智能 · 计算机科学 2016-11-26 Keiji Kanazawa , Daphne Koller , Stuart Russell

Through the Bayesian lens of data assimilation, uncertainty on model parameters is traditionally quantified through the posterior covariance matrix. However, in modern settings involving high-dimensional and computationally expensive…

统计计算 · 统计学 2023-11-16 Michael Stanley , Mikael Kuusela , Brendan Byrne , Junjie Liu

Two commonly arising computational tasks in Bayesian learning are Optimization (Maximum A Posteriori estimation) and Sampling (from the posterior distribution). In the convex case these two problems are efficiently reducible to each other.…

机器学习 · 计算机科学 2019-11-07 Kunal Talwar

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.…

机器学习 · 计算机科学 2014-01-14 Edward Meeds , Max Welling

Comparing mathematical models offers a means to evaluate competing scientific theories. However, exact methods of model calibration are not applicable to many probabilistic models which simulate high-dimensional spatio-temporal data.…

定量方法 · 定量生物学 2026-01-13 Robert A McDonald , Helen M Byrne , Heather A Harrington , Thomas Thorne , Bernadette J Stolz

Bayesian optimization (BO) is a sequential approach for optimizing black-box objective functions using zeroth-order noisy observations. In BO, Gaussian processes (GPs) are employed as probabilistic surrogate models to estimate the objective…

机器学习 · 计算机科学 2025-04-02 Dongwon Kim , Matteo Zecchin , Sangwoo Park , Joonhyuk Kang , Osvaldo Simeone

Informationally overcomplete POVMs are known to outperform minimally complete measurements in many tomography and estimation tasks, and they also leave a purely classical freedom in shadow tomography: the same observable admits infinitely…

量子物理 · 物理学 2026-01-26 Andrea Caprotti , Joshua Morris , Borivoje Dakić

Despite the growing interest in designing truly interactive hyperparameter optimization (HPO) methods, to date, only a few allow to include human feedback. Existing interactive Bayesian optimization (BO) methods incorporate human beliefs by…

机器学习 · 计算机科学 2025-05-26 Jonas Seng , Fabrizio Ventola , Zhongjie Yu , Kristian Kersting

A body of work has been done to automate machine learning algorithm to highlight the importance of model choice. Automating the process of choosing the best forecasting model and its corresponding parameters can result to improve a wide…

机器学习 · 计算机科学 2021-09-02 Nadhir Hassen , Irina Rish

Bayesian optimisation (BO) algorithms have shown remarkable success in applications involving expensive black-box functions. Traditionally BO has been set as a sequential decision-making process which estimates the utility of query points…

机器学习 · 计算机科学 2022-10-25 Rafael Oliveira , Louis Tiao , Fabio Ramos