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Three steps in the development of the maximum likelihood (ML) method are presented. At first, the application of the ML method and Fisher information notion in the model selection analysis is described (Chapter 1). The fundamentals of…

General Physics · Physics 2012-11-16 Jacek Syska

Machine Learning Interatomic Potentials (MLIPs) achieve near ab initio accuracy at a fraction of the cost of quantum-mechanical simulations, yet they remain prone to silent failures on out-of-distribution configurations, making principled…

Computational Engineering, Finance, and Science · Computer Science 2026-05-27 Olga Zaghen , Maksim Zhdanov , Dario Coscia , David R. Wessels , Erik J. Bekkers

Sensitivity analyses reveal the influence of various modeling choices on the outcomes of statistical analyses. While theoretically appealing, they are overwhelmingly inefficient for complex Bayesian models. In this work, we propose…

Two desiderata of reinforcement learning (RL) algorithms are the ability to learn from relatively little experience and the ability to learn policies that generalize to a range of problem specifications. In factored state spaces, one…

Artificial Intelligence · Computer Science 2025-08-19 Zizhao Wang , Caroline Wang , Xuesu Xiao , Yuke Zhu , Peter Stone

This paper studies the fundamental problem of learning multi-layer generator models. The multi-layer generator model builds multiple layers of latent variables as a prior model on top of the generator, which benefits learning complex data…

Computer Vision and Pattern Recognition · Computer Science 2023-10-13 Jiali Cui , Ying Nian Wu , Tian Han

In computational mechanics, multiple models are often present to describe a physical system. While Bayesian model selection is a helpful tool to compare these models using measurement data, it requires the computationally expensive…

Computation · Statistics 2025-04-14 Subhayan De , Reza Farzad , Patrick T. Brewick , Erik A. Johnson , Steven F. Wojtkiewicz

In this paper, we focus on the problem of integrating Energy-based Models (EBM) as guiding priors for motion optimization. EBMs are a set of neural networks that can represent expressive probability density distributions in terms of a Gibbs…

Robotics · Computer Science 2023-01-13 Julen Urain , An T. Le , Alexander Lambert , Georgia Chalvatzaki , Byron Boots , Jan Peters

A maximum likelihood methodology for a general class of models is presented, using an approximate Bayesian computation (ABC) approach. The typical target of ABC methods are models with intractable likelihoods, and we combine an ABC-MCMC…

Methodology · Statistics 2016-08-16 Umberto Picchini , Rachele Anderson

Simulation-Based Inference (SBI) offers a principled and flexible framework for conducting Bayesian inference in any situation where forward simulations are feasible. However, validating the accuracy and reliability of the inferred…

Instrumentation and Methods for Astrophysics · Physics 2026-01-21 James Alvey , Carlo R. Contaldi , Mauro Pieroni

Simulator-based models are models for which the likelihood is intractable but simulation of synthetic data is possible. They are often used to describe complex real-world phenomena, and as such can often be misspecified in practice.…

Marginal-likelihood based model-selection, even though promising, is rarely used in deep learning due to estimation difficulties. Instead, most approaches rely on validation data, which may not be readily available. In this work, we present…

Machine Learning · Statistics 2021-06-16 Alexander Immer , Matthias Bauer , Vincent Fortuin , Gunnar Rätsch , Mohammad Emtiyaz Khan

We propose to learn energy-based model (EBM) in the latent space of a generator model, so that the EBM serves as a prior model that stands on the top-down network of the generator model. Both the latent space EBM and the top-down network…

Machine Learning · Statistics 2020-10-30 Bo Pang , Tian Han , Erik Nijkamp , Song-Chun Zhu , Ying Nian Wu

This chapter will appear in the forthcoming Handbook of Approximate Bayesian Computation (2018). The conceptual and methodological framework that underpins approximate Bayesian computation (ABC) is targetted primarily towards problems in…

Computation · Statistics 2018-03-20 Christopher C Drovandi , Clara Grazian , Kerrie Mengersen , Christian Robert

Energy-Based Models (EBMs) assign unnormalized log-probability to data samples. This functionality has a variety of applications, such as sample synthesis, data denoising, sample restoration, outlier detection, Bayesian reasoning, and many…

Machine Learning · Statistics 2019-12-23 Zengyi Li , Yubei Chen , Friedrich T. Sommer

Statistical estimation often involves tradeoffs between expensive, high-quality measurements and a variety of lower-quality proxies. We introduce Multiple-Prediction-Powered Inference (MultiPPI): a general framework for constructing…

We propose two neural network based mixture models in this article. The proposed mixture models are explicit in nature. The explicit models have analytical forms with the advantages of computing likelihood and efficiency of generating…

Machine Learning · Computer Science 2020-05-26 Dong Liu , Minh Thành Vu , Saikat Chatterjee , Lars K. Rasmussen

Although deep learning models have driven state-of-the-art performance on a wide array of tasks, they are prone to spurious correlations that should not be learned as predictive clues. To mitigate this problem, we propose a causality-based…

Machine Learning · Computer Science 2021-10-27 Xinyi Wang , Wenhu Chen , Michael Saxon , William Yang Wang

Bayesian inference without the likelihood evaluation, or likelihood-free inference, has been a key research topic in simulation studies for gaining quantitatively validated simulation models on real-world datasets. As the likelihood…

Methodology · Statistics 2022-11-07 Dongjun Kim , Kyungwoo Song , YoonYeong Kim , Yongjin Shin , Wanmo Kang , Il-Chul Moon , Weonyoung Joo

We propose a method to improve the efficiency and accuracy of amortized Bayesian inference by leveraging universal symmetries in the joint probabilistic model of parameters and data. In a nutshell, we invert Bayes' theorem and estimate the…

Machine Learning · Computer Science 2024-07-24 Marvin Schmitt , Desi R. Ivanova , Daniel Habermann , Ullrich Köthe , Paul-Christian Bürkner , Stefan T. Radev

High-fidelity simulators that connect theoretical models with observations are indispensable tools in many sciences. When coupled with machine learning, a simulator makes it possible to infer the parameters of a theoretical model directly…

Methodology · Statistics 2023-11-03 Ali Al Kadhim , Harrison B. Prosper , Olivia F. Prosper