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This book aims to provide a graduate-level introduction to advanced topics in Markov chain Monte Carlo (MCMC) algorithms, as applied broadly in the Bayesian computational context. Most, if not all of these topics (stochastic gradient MCMC,…

Machine Learning · Statistics 2024-07-18 Paul Fearnhead , Christopher Nemeth , Chris J. Oates , Chris Sherlock

In recent years deep neural networks have been successfully applied to the domains of reinforcement learning \cite{bengio2009learning,krizhevsky2012imagenet,hinton2006reducing}. Deep reinforcement learning \cite{mnih2015human} is reported…

Machine Learning · Computer Science 2020-05-19 Huihui Zhang , Wu Huang

Recent years have seen a rise in the application of machine learning techniques to aid the simulation of hard-to-sample systems that cannot be studied using traditional methods. Despite the introduction of many different architectures and…

Disordered Systems and Neural Networks · Physics 2025-10-09 Luca Maria Del Bono , Federico Ricci-Tersenghi , Francesco Zamponi

Selective classification is a powerful tool for automated decision-making in high-risk scenarios, allowing classifiers to act only when confident and abstain when uncertainty is high. Given a target accuracy, our goal is to minimize…

Statistics Theory · Mathematics 2025-10-28 Mohamed Ndaoud , Peter Radchenko , Bradley Rava

Decision theory formally solves the problem of rational agents in uncertain worlds if the true environmental probability distribution is known. Solomonoff's theory of universal induction formally solves the problem of sequence prediction…

Artificial Intelligence · Computer Science 2007-07-16 Marcus Hutter

State-of-the-art deep-learning systems use decision rules that are challenging for humans to model. Explainable AI (XAI) attempts to improve human understanding but rarely accounts for how people typically reason about unfamiliar agents. We…

Artificial Intelligence · Computer Science 2021-04-27 Scott Cheng-Hsin Yang , Wai Keen Vong , Ravi B. Sojitra , Tomas Folke , Patrick Shafto

Purpose: In recent years Monte-Carlo sampling methods, such as Monte Carlo tree search, have achieved tremendous success in model free reinforcement learning. A combination of the so called upper confidence bounds policy to preserve the…

Artificial Intelligence · Computer Science 2011-10-24 Boris Mitavskiy , Jonathan Rowe , Chris Cannings

An efficient method for finding a better maximizer of computationally extensive probability distributions is proposed on the basis of a Bayesian optimization technique. A key idea of the proposed method is to use extreme values of…

Data Analysis, Statistics and Probability · Physics 2018-03-14 Ryo Tamura , Koji Hukushima

Neural Networks and Decision Trees: two popular techniques for supervised learning that are seemingly disconnected in their formulation and optimization method, have recently been combined in a single construct. The connection pivots on…

Machine Learning · Statistics 2020-02-27 Giuseppe Nuti , Lluís Antoni Jiménez Rugama , Kaspar Thommen

Decision theories offer principled methods for making choices under various types of uncertainty. Algorithms that implement these theories have been successfully applied to a wide range of real-world problems, including materials and drug…

Machine Learning · Computer Science 2026-05-26 Agustinus Kristiadi

The optimization of atomic structures plays a pivotal role in understanding and designing materials with desired properties. However, conventional computational methods often struggle with the formidable task of navigating the vast…

Materials Science · Physics 2024-11-19 Peder Lyngby , Casper Larsen , Karsten Wedel Jacobsen

As a compact representation of joint probability distributions over a dependence graph of random variables, and a tool for modelling and reasoning in the presence of uncertainty, Bayesian networks are of great importance for artificial…

Quantum Physics · Physics 2020-10-06 Michael de Oliveira , Luis Soares Barbosa

Sequential experimental design to discover interventions that achieve a desired outcome is a key problem in various domains including science, engineering and public policy. When the space of possible interventions is large, making an…

Machine Learning · Computer Science 2023-08-17 Jiaqi Zhang , Louis Cammarata , Chandler Squires , Themistoklis P. Sapsis , Caroline Uhler

A plethora of problems in AI, engineering and the sciences are naturally formalized as inference in discrete probabilistic models. Exact inference is often prohibitively expensive, as it may require evaluating the (unnormalized) target…

Machine Learning · Computer Science 2019-10-16 Lars Buesing , Nicolas Heess , Theophane Weber

The standard theory of model-free reinforcement learning assumes that the environment dynamics are stationary and that agents are decoupled from their environment, such that policies are treated as being separate from the world they…

We introduce a unified probabilistic framework for solving sequential decision making problems ranging from Bayesian optimisation to contextual bandits and reinforcement learning. This is accomplished by a probabilistic model-based approach…

We build on auto-encoding sequential Monte Carlo (AESMC): a method for model and proposal learning based on maximizing the lower bound to the log marginal likelihood in a broad family of structured probabilistic models. Our approach relies…

Machine Learning · Statistics 2018-04-06 Tuan Anh Le , Maximilian Igl , Tom Rainforth , Tom Jin , Frank Wood

We consider the problem of estimating rare event probabilities, focusing on systems whose evolution is governed by differential equations with uncertain input parameters. If the system dynamics is expensive to compute, standard sampling…

Computation · Statistics 2019-11-05 Siddhant Wahal , George Biros

Learning Bayesian networks is often cast as an optimization problem, where the computational task is to find a structure that maximizes a statistically motivated score. By and large, existing learning tools address this optimization problem…

Machine Learning · Computer Science 2013-01-30 Nir Friedman , Iftach Nachman , Dana Pe'er

Bayesian models are a powerful tool for studying complex data, allowing the analyst to encode rich hierarchical dependencies and leverage prior information. Most importantly, they facilitate a complete characterization of uncertainty…

Machine Learning · Statistics 2023-04-25 Steven Winter , Trevor Campbell , Lizhen Lin , Sanvesh Srivastava , David B. Dunson
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