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Generative Flow Networks (GFlowNets) have emerged as an innovative learning paradigm designed to address the challenge of sampling from an unnormalized probability distribution, called the reward function. This framework learns a policy on…

Machine Learning · Computer Science 2024-07-04 Anas Krichel , Nikolay Malkin , Salem Lahlou , Yoshua Bengio

Generative Flow Networks (GFlowNets), a new family of probabilistic samplers, have recently emerged as a promising framework for learning stochastic policies that generate high-quality and diverse objects proportionally to their rewards.…

Machine Learning · Computer Science 2024-06-05 Chunhui Li , Cheng-Hao Liu , Dianbo Liu , Qingpeng Cai , Ling Pan

Social science theories often postulate causal relationships among a set of variables or events. Although directed acyclic graphs (DAGs) are increasingly used to represent these theories, their full potential has not yet been realized in…

Machine Learning · Statistics 2024-01-17 Sourabh Balgi , Adel Daoud , Jose M. Peña , Geoffrey T. Wodtke , Jesse Zhou

Bayesian Inference offers principled tools to tackle many critical problems with modern neural networks such as poor calibration and generalization, and data inefficiency. However, scaling Bayesian inference to large architectures is…

Generative Flow Networks (GFlowNets, GFNs) are a generative framework for learning unnormalized probability mass functions over discrete spaces. Since their inception, GFlowNets have proven to be useful for learning generative models in…

Machine Learning · Computer Science 2025-04-17 Lazar Atanackovic , Emmanuel Bengio

While Markov chain Monte Carlo methods (MCMC) provide a general framework to sample from a probability distribution defined up to normalization, they often suffer from slow convergence to the target distribution when the latter is highly…

Machine Learning · Computer Science 2023-07-06 Tristan Deleu , Yoshua Bengio

Phylogenetics is a branch of computational biology that studies the evolutionary relationships among biological entities. Its long history and numerous applications notwithstanding, inference of phylogenetic trees from sequence data remains…

Populations and Evolution · Quantitative Biology 2024-03-26 Mingyang Zhou , Zichao Yan , Elliot Layne , Nikolay Malkin , Dinghuai Zhang , Moksh Jain , Mathieu Blanchette , Yoshua Bengio

This paper builds bridges between two families of probabilistic algorithms: (hierarchical) variational inference (VI), which is typically used to model distributions over continuous spaces, and generative flow networks (GFlowNets), which…

Machine Learning · Computer Science 2023-03-03 Nikolay Malkin , Salem Lahlou , Tristan Deleu , Xu Ji , Edward Hu , Katie Everett , Dinghuai Zhang , Yoshua Bengio

Learning the causal structure that underlies data is a crucial step towards robust real-world decision making. The majority of existing work in causal inference focuses on determining a single directed acyclic graph (DAG) or a Markov…

Machine Learning · Computer Science 2021-06-15 Yashas Annadani , Jonas Rothfuss , Alexandre Lacoste , Nino Scherrer , Anirudh Goyal , Yoshua Bengio , Stefan Bauer

Bayesian causal discovery offers the power to quantify epistemic uncertainties among a broad range of structurally diverse causal theories potentially explaining the data, represented in forms of directed acyclic graphs (DAGs). However,…

Machine Learning · Computer Science 2024-08-30 Nu Hoang , Bao Duong , Thin Nguyen

This paper is about the problem of learning a stochastic policy for generating an object (like a molecular graph) from a sequence of actions, such that the probability of generating an object is proportional to a given positive reward for…

Machine Learning · Computer Science 2021-11-22 Emmanuel Bengio , Moksh Jain , Maksym Korablyov , Doina Precup , Yoshua Bengio

Generative Flow Networks (GFlowNets) are amortized sampling methods that learn a distribution over discrete objects proportional to their rewards. GFlowNets exhibit a remarkable ability to generate diverse samples, yet occasionally struggle…

Machine Learning · Computer Science 2024-03-26 Minsu Kim , Taeyoung Yun , Emmanuel Bengio , Dinghuai Zhang , Yoshua Bengio , Sungsoo Ahn , Jinkyoo Park

Graphical models can represent a multivariate distribution in a convenient and accessible form as a graph. Causal models can be viewed as a special class of graphical models that not only represent the distribution of the observed system…

Methodology · Statistics 2017-06-29 Christina Heinze-Deml , Marloes H. Maathuis , Nicolai Meinshausen

Estimating the structure of directed acyclic graphs (DAGs) of features (variables) plays a vital role in revealing the latent data generation process and providing causal insights in various applications. Although there have been many…

Machine Learning · Computer Science 2024-03-06 Shaohua Fan , Shuyang Zhang , Xiao Wang , Chuan Shi

We give methods for Bayesian inference of directed acyclic graphs, DAGs, and the induced causal effects from passively observed complete data. Our methods build on a recent Markov chain Monte Carlo scheme for learning Bayesian networks,…

Machine Learning · Computer Science 2020-11-19 Jussi Viinikka , Antti Hyttinen , Johan Pensar , Mikko Koivisto

We develop a novel convolutional architecture tailored for learning from data defined over directed acyclic graphs (DAGs). DAGs can be used to model causal relationships among variables, but their nilpotent adjacency matrices pose unique…

Machine Learning · Computer Science 2024-05-07 Samuel Rey , Hamed Ajorlou , Gonzalo Mateos

Many score-based active learning methods have been successfully applied to graph-structured data, aiming to reduce the number of labels and achieve better performance of graph neural networks based on predefined score functions. However,…

Machine Learning · Computer Science 2023-04-25 Yinchuan Li , Zhigang Li , Wenqian Li , Yunfeng Shao , Yan Zheng , Jianye Hao

Generative AI has achieved remarkable empirical success, but from the perspective of statistics it often remains opaque: its predictions may be accurate, yet the underlying mechanism is difficult to interpret, analyze, and trust. This book…

Machine Learning · Statistics 2026-03-11 Shinto Eguchi

Generative flow networks (GFlowNets) are a method for learning a stochastic policy for generating compositional objects, such as graphs or strings, from a given unnormalized density by sequences of actions, where many possible action…

Machine Learning · Computer Science 2023-10-05 Nikolay Malkin , Moksh Jain , Emmanuel Bengio , Chen Sun , Yoshua Bengio

Bayesian networks (BN) are directed acyclic graphical (DAG) models that have been adopted into many fields for their strengths in transparency, interpretability, probabilistic reasoning, and causal modeling. Given a set of data, one hurdle…

Artificial Intelligence · Computer Science 2023-05-19 Christian D. Blakely