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Graph convolutional neural networks (GCNN) have numerous applications in different graph based learning tasks. Although the techniques obtain impressive results, they often fall short in accounting for the uncertainty associated with the…

机器学习 · 计算机科学 2019-11-13 Soumyasundar Pal , Florence Regol , Mark Coates

Bayesian causal discovery aims to infer the posterior distribution over causal models from observed data, quantifying epistemic uncertainty and benefiting downstream tasks. However, computational challenges arise due to joint inference over…

机器学习 · 计算机科学 2023-12-11 Yashas Annadani , Nick Pawlowski , Joel Jennings , Stefan Bauer , Cheng Zhang , Wenbo Gong

GFlowNets are a promising alternative to MCMC sampling for discrete compositional random variables. Training GFlowNets requires repeated evaluations of the unnormalized target distribution or reward function. However, for large-scale…

机器学习 · 计算机科学 2024-06-06 Tiago da Silva , Luiz Max Carvalho , Amauri Souza , Samuel Kaski , Diego Mesquita

Bayesian inference on structured models typically relies on the ability to infer posterior distributions of underlying hidden variables. However, inference in implicit models or complex posterior distributions is hard. A popular tool for…

机器学习 · 统计学 2016-12-16 Theofanis Karaletsos

Graph convolutional networks (GCNs) are \emph{discriminative models} that directly model the class posterior $p(y|\mathbf{x})$ for semi-supervised classification of graph data. While being effective, as a representation learning approach,…

机器学习 · 计算机科学 2023-05-30 Tianchun Wang , Farzaneh Mirzazadeh , Xiang Zhang , Jie Chen

Generative Flow Networks (GFlowNets) are a flexible family of amortized samplers trained to generate discrete and compositional objects with probability proportional to a reward function. However, learning efficiency is constrained by the…

机器学习 · 计算机科学 2026-02-23 Pedro Dall'Antonia , Tiago da Silva , Daniel Csillag , Salem Lahlou , Diego Mesquita

Generating graph-structured data is crucial in applications such as molecular generation, knowledge graphs, and network analysis. However, their discrete, unordered nature makes them difficult for traditional generative models, leading to…

机器学习 · 计算机科学 2026-04-14 Ole Petersen , Marcel Kollovieh , Marten Lienen , Stephan Günnemann

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…

机器学习 · 计算机科学 2024-03-06 Shaohua Fan , Shuyang Zhang , Xiao Wang , Chuan Shi

Deep learning is emerging as an effective tool in drug discovery, with potential applications in both predictive and generative models. Generative Flow Networks (GFlowNets/GFNs) are a recently introduced method recognized for the ability to…

机器学习 · 计算机科学 2023-11-08 Elaine Lau , Nikhil Vemgal , Doina Precup , Emmanuel Bengio

Graph convolutional neural networks (GCNN) have been successfully applied to many different graph based learning tasks including node and graph classification, matrix completion, and learning of node embeddings. Despite their impressive…

机器学习 · 计算机科学 2019-10-29 Soumyasundar Pal , Florence Regol , Mark Coates

Graphical model learning and inference are often performed using Bayesian techniques. In particular, learning is usually performed in two separate steps. First, the graph structure is learned from the data; then the parameters of the model…

统计理论 · 数学 2013-09-09 Marco Scutari

Many biological networks include cyclic structures. In such cases, Bayesian networks (BNs), which must be acyclic, are not sound models for structure learning. Dynamic BNs can be used but require relatively large time series data. We…

统计方法学 · 统计学 2020-02-18 Witold Wiecek , Frederic Y. Bois , Ghislaine Gayraud

Generative flow networks (GFlowNets) are amortized variational inference algorithms that treat sampling from a distribution over compositional objects as a sequential decision-making problem with a learnable action policy. Unlike other…

Bayesian methods for learning Gaussian graphical models offer a principled framework for quantifying model uncertainty and incorporating prior knowledge. However, their scalability is constrained by the computational cost of jointly…

统计方法学 · 统计学 2025-08-28 Reza Mohammadi , Marit Schoonhoven , Lucas Vogels , S. Ilker Birbil

Bayes' rule naturally allows for inference refinement in a streaming fashion, without the need to recompute posteriors from scratch whenever new data arrives. In principle, Bayesian streaming is straightforward: we update our prior with the…

机器学习 · 计算机科学 2024-11-12 Tiago da Silva , Daniel Augusto de Souza , Diego Mesquita

Generative Flow Networks (GFlowNets) offer a powerful framework for sampling graphs in proportion to their rewards. However, existing approaches suffer from systematic biases due to inaccuracies in state transition probability computations.…

机器学习 · 统计学 2025-10-17 Hohyun Kim , Seunggeun Lee , Min-hwan Oh

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…

统计方法学 · 统计学 2025-05-27 Frank van der Meulen , Moritz Schauer , Stefan Sommer

Acyclic model, often depicted as a directed acyclic graph (DAG), has been widely employed to represent directional causal relations among collected nodes. In this article, we propose an efficient method to learn linear non-Gaussian DAG in…

机器学习 · 统计学 2021-11-02 Ruixuan Zhao , Xin He , Junhui Wang

Generative Flow Networks (GFlowNets) have emerged as a powerful paradigm for generating composite structures, demonstrating considerable promise across diverse applications. While substantial progress has been made in exploring their…

机器学习 · 计算机科学 2025-05-06 Tianshu Yu

MCMC methods for sampling from the space of DAGs can mix poorly due to the local nature of the proposals that are commonly used. It has been shown that sampling from the space of node orders yields better results [FK03, EW06]. Recently,…

机器学习 · 计算机科学 2012-06-26 Daniel Eaton , Kevin Murphy