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A fully Bayesian treatment of complicated predictive models (such as deep neural networks) would enable rigorous uncertainty quantification and the automation of higher-level tasks including model selection. However, the intractability of…

TensorBNN is a new package based on TensorFlow that implements Bayesian inference for modern neural network models. The posterior density of neural network model parameters is represented as a point cloud sampled using Hamiltonian Monte…

Computational Physics · Physics 2022-07-12 Braden Kronheim , Michelle Kuchera , Harrison Prosper

A novel Python framework for Bayesian optimization known as GPflowOpt is introduced. The package is based on the popular GPflow library for Gaussian processes, leveraging the benefits of TensorFlow including automatic differentiation,…

Machine Learning · Statistics 2017-11-13 Nicolas Knudde , Joachim van der Herten , Tom Dhaene , Ivo Couckuyt

Sequential optimization methods are often confronted with the curse of dimensionality in high-dimensional spaces. Current approaches under the Gaussian process framework are still burdened by the computational complexity of tracking…

Machine Learning · Computer Science 2024-01-08 Zeji Yi , Yunyue Wei , Chu Xin Cheng , Kaibo He , Yanan Sui

Modern Bayesian inference involves a mixture of computational techniques for estimating, validating, and drawing conclusions from probabilistic models as part of principled workflows for data analysis. Typical problems in Bayesian workflows…

TensorFlow is a machine learning system that operates at large scale and in heterogeneous environments. TensorFlow uses dataflow graphs to represent computation, shared state, and the operations that mutate that state. It maps the nodes of…

Sampling from high-dimensional distributions is a fundamental problem in statistical research and practice. However, great challenges emerge when the target density function is unnormalized and contains isolated modes. We tackle this…

Methodology · Statistics 2023-04-11 Yixuan Qiu , Xiao Wang

We present Trieste, an open-source Python package for Bayesian optimization and active learning benefiting from the scalability and efficiency of TensorFlow. Our library enables the plug-and-play of popular TensorFlow-based models within…

In the context of Bayesian inversion for scientific and engineering modeling, Markov chain Monte Carlo sampling strategies are the benchmark due to their flexibility and robustness in dealing with arbitrary posterior probability density…

Computation · Statistics 2021-12-07 Han Lu , Mohammad Khalil , Thomas Catanach , Jiefu Chen , Xuqing Wu , Xin Fu , Cosmin Safta , Yueqin Huang

Bayesian neural learning feature a rigorous approach to estimation and uncertainty quantification via the posterior distribution of weights that represent knowledge of the neural network. This not only provides point estimates of optimal…

Machine Learning · Computer Science 2018-11-13 Rohitash Chandra , Konark Jain , Ratneel V. Deo , Sally Cripps

Monte Carlo sampling for Bayesian posterior inference is a common approach used in machine learning. The Markov Chain Monte Carlo procedures that are used are often discrete-time analogues of associated stochastic differential equations…

Machine Learning · Statistics 2020-02-14 Xiaocheng Shang , Zhanxing Zhu , Benedict Leimkuhler , Amos J. Storkey

We describe a simple, low-level approach for embedding probabilistic programming in a deep learning ecosystem. In particular, we distill probabilistic programming down to a single abstraction---the random variable. Our lightweight…

Deep learning is a branch of artificial intelligence employing deep neural network architectures that has significantly advanced the state-of-the-art in computer vision, speech recognition, natural language processing and other domains. In…

Machine Learning · Computer Science 2016-10-06 Peter Goldsborough

We describe the development of a new toolkit for data analysis. The analysis package is based on Bayes' Theorem, and is realized with the use of Markov Chain Monte Carlo. This gives access to the full posterior probability distribution.…

Data Analysis, Statistics and Probability · Physics 2015-05-13 Allen Caldwell , Daniel Kollar , Kevin Kroeninger

Bayesian optimization in large unstructured discrete spaces is often hindered by the computational cost of maximizing acquisition functions due to the absence of gradients. We propose a scalable alternative based on Thompson sampling that…

Machine Learning · Computer Science 2026-03-02 Nicolas Menet , Aleksandar Terzić , Michael Hersche , Andreas Krause , Abbas Rahimi

We introduce TensorFlow Agents, an efficient infrastructure paradigm for building parallel reinforcement learning algorithms in TensorFlow. We simulate multiple environments in parallel, and group them to perform the neural network…

Machine Learning · Computer Science 2018-11-02 Danijar Hafner , James Davidson , Vincent Vanhoucke

We propose an algorithm for the efficient and robust sampling of the posterior probability distribution in Bayesian inference problems. The algorithm combines the local search capabilities of the Manifold Metropolis Adjusted Langevin…

This work explores an extension of machine learning-optimized piecewise polynomial approximation by incorporating energy optimization as an additional objective. Traditional closed-form solutions enable continuity and approximation targets…

Machine Learning · Computer Science 2025-08-08 Hannes Waclawek , Stefan Huber

We recapitulate the Bayesian formulation of neural network based classifiers and show that, while sampling from the posterior does indeed lead to better generalisation than is obtained by standard optimisation of the cost function, even…

Machine Learning · Statistics 2019-04-09 Robert J. N. Baldock , Nicola Marzari

Markov Chain Monte Carlo (MCMC) algorithms are essential tools in computational statistics for sampling from unnormalised probability distributions, but can be fragile when targeting high-dimensional, multimodal, or complex target…

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