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Bayesian inference with computationally expensive likelihood evaluations remains a significant challenge in many scientific domains. We propose normalizing flow regression (NFR), a novel offline inference method for approximating posterior…

Machine Learning · Statistics 2025-04-17 Chengkun Li , Bobby Huggins , Petrus Mikkola , Luigi Acerbi

Bayesian posterior inference is prevalent in various machine learning problems. Variational inference provides one way to approximate the posterior distribution, however its expressive power is limited and so is the accuracy of resulting…

Machine Learning · Computer Science 2018-07-11 Guoqing Zheng , Yiming Yang , Jaime Carbonell

Our paper deals with inferring simulator-based statistical models given some observed data. A simulator-based model is a parametrized mechanism which specifies how data are generated. It is thus also referred to as generative model. We…

Machine Learning · Statistics 2016-01-01 Michael U. Gutmann , Jukka Corander

Modern data analysis increasingly requires flexible conditional inference P(X_B | X_A) where (X_A, X_B) is an arbitrary partition of observed variable X. Existing approaches are either restricted to a fixed conditioning structure or depend…

Machine Learning · Statistics 2026-03-11 Qiao Liu , Wing Hung Wong

Inferences about hypotheses are ubiquitous in the cognitive sciences. Bayes factors provide one general way to compare different hypotheses by their compatibility with the observed data. Those quantifications can then also be used to choose…

The Bayesian transformed Gaussian process (BTG) model, proposed by Kedem and Oliviera, is a fully Bayesian counterpart to the warped Gaussian process (WGP) and marginalizes out a joint prior over input warping and kernel hyperparameters.…

Machine Learning · Computer Science 2022-10-21 Xinran Zhu , Leo Huang , Cameron Ibrahim , Eric Hans Lee , David Bindel

The process of extracting valuable and novel insights from raw data involves a series of complex steps. In the realm of Automated Machine Learning (AutoML), a significant research focus is on automating aspects of this process, specifically…

Machine Learning · Computer Science 2024-02-06 Rafael Barbudo , Aurora Ramírez , José Raúl Romero

When applying Bayesian optimization (BO) to scientific workflow, a major yet often overlooked source of uncertainty is the task itself -- namely, what to optimize and how to evaluate it -- which can evolve as evidence accumulates. We…

Artificial Intelligence · Computer Science 2026-05-11 Masaki Adachi , Yuta Suzuki , Juliusz Ziomek

We present a computational framework for efficient learning, sampling, and distribution of general Bayesian posterior distributions. The framework leverages a machine learning approach for the construction of normalizing flows for the…

Nuclear Theory · Physics 2023-10-10 Yukari Yamauchi , Landon Buskirk , Pablo Giuliani , Kyle Godbey

Large language models (LLMs) have shown strong potential in automating the design of agentic workflows. However, existing methods still rely heavily on manually predefined operators, limiting generalization and scalability. To address this…

Artificial Intelligence · Computer Science 2025-11-27 Mingming Zhao , Xiaokang Wei , Yuanqi Shao , Kaiwen Zhou , Lin Yang , Siwei Rao , Junhui Zhan , Zhitang Chen

Recently, combinations of generative and Bayesian machine learning have been introduced in particle physics for both fast detector simulation and inference tasks. These neural networks aim to quantify the uncertainty on the generated…

Machine Learning · Computer Science 2024-11-21 Sebastian Bieringer , Sascha Diefenbacher , Gregor Kasieczka , Mathias Trabs

A significant barrier to the widespread adoption of Bayesian inference is the specification of prior distributions and likelihoods, which often requires specialized statistical expertise. This paper investigates the feasibility of using a…

Artificial Intelligence · Computer Science 2025-08-13 Yongchao Huang

We consider Bayesian optimization of the output of a network of functions, where each function takes as input the output of its parent nodes, and where the network takes significant time to evaluate. Such problems arise, for example, in…

Machine Learning · Computer Science 2022-01-03 Raul Astudillo , Peter I. Frazier

Experiments in research on memory, language, and in other areas of cognitive science are increasingly being analyzed using Bayesian methods. This has been facilitated by the development of probabilistic programming languages such as Stan,…

Methodology · Statistics 2020-03-02 Daniel J. Schad , Michael Betancourt , Shravan Vasishth

Automatically generating agentic workflows -- executable operator graphs or codes that orchestrate reasoning, verification, and repair -- has become a practical way to solve complex tasks beyond what single-pass LLM generation can reliably…

Multiagent Systems · Computer Science 2026-02-12 Jialiang Wang , Shengxiang Xu , Hanmo Liu , Jiachuan Wang , Yuyu Luo , Shimin Di , Min-Ling Zhang , Lei Chen

Guiding pretrained flow-based generative models for conditional generation or to produce samples with desired target properties enables solving diverse tasks without retraining on paired data. We present ESS-Flow, a gradient-free method…

Machine Learning · Computer Science 2025-10-08 Adhithyan Kalaivanan , Zheng Zhao , Jens Sjölund , Fredrik Lindsten

The Bayesian Synthetic Likelihood (BSL) method is a widely-used tool for likelihood-free Bayesian inference. This method assumes that some summary statistics are normally distributed, which can be incorrect in many applications. We propose…

Computation · Statistics 2024-08-16 Nhat-Minh Nguyen , Minh-Ngoc Tran , Christopher Drovandi , David Nott

One of the primary goals of statistical precision medicine is to learn optimal individualized treatment rules (ITRs). The classification-based, or machine learning-based, approach to estimating optimal ITRs was first introduced in…

Methodology · Statistics 2024-06-18 Sophia Yazzourh , Nikki L. B. Freeman

We develop a general methodological framework for probabilistic inference in discrete- and continuous-time stochastic processes evolving on directed acyclic graphs (DAGs). The process is observed only at the leaf nodes, and the challenge is…

Methodology · Statistics 2025-05-27 Frank van der Meulen , Moritz Schauer , Stefan Sommer

Artificial Neural Networks are connectionist systems that perform a given task by learning on examples without having prior knowledge about the task. This is done by finding an optimal point estimate for the weights in every node.…

Machine Learning · Computer Science 2019-01-10 Kumar Shridhar , Felix Laumann , Marcus Liwicki