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Graph Neural Networks (GNNs) have seen significant success in tasks such as node classification, largely contingent upon the availability of sufficient labeled nodes. Yet, the excessive cost of labeling large-scale graphs led to a focus on…

Machine Learning · Computer Science 2024-02-06 Hongliang Chi , Cong Qi , Suhang Wang , Yao Ma

A common problem of classical neural network architectures is that additional information or expert knowledge cannot be naturally integrated into the learning process. To overcome this limitation, we propose a two-step approach consisting…

Machine Learning · Computer Science 2024-06-17 Florian Seiffarth

Generative Flow Networks (GFlowNets) aim to generate diverse trajectories from a distribution in which the final states of the trajectories are proportional to the reward, serving as a powerful alternative to reinforcement learning for…

Artificial Intelligence · Computer Science 2024-08-14 Shuang Luo , Yinchuan Li , Shunyu Liu , Xu Zhang , Yunfeng Shao , Chao Wu

Generative Flow Networks (GFlowNets), a class of generative models have recently emerged as a suitable framework for generating diverse and high-quality molecular structures by learning from unnormalized reward distributions. Previous works…

Machine Learning · Computer Science 2024-09-17 Mohit Pandey , Gopeshh Subbaraj , Emmanuel Bengio

Graph Neural Networks (GNNs) have achieved great success in various tasks, but their performance highly relies on a large number of labeled nodes, which typically requires considerable human effort. GNN-based Active Learning (AL) methods…

Machine Learning · Computer Science 2022-03-03 Wentao Zhang , Yexin Wang , Zhenbang You , Meng Cao , Ping Huang , Jiulong Shan , Zhi Yang , Bin Cui

We propose a novel graph-driven generative model, that unifies multiple heterogeneous learning tasks into the same framework. The proposed model is based on the fact that heterogeneous learning tasks, which correspond to different…

Machine Learning · Computer Science 2019-11-21 Wenlin Wang , Hongteng Xu , Zhe Gan , Bai Li , Guoyin Wang , Liqun Chen , Qian Yang , Wenqi Wang , Lawrence Carin

Generative Flow Networks (GFNs) have emerged as a powerful tool for sampling discrete objects from unnormalized distributions, offering a scalable alternative to Markov Chain Monte Carlo (MCMC) methods. While GFNs draw inspiration from…

Machine Learning · Computer Science 2025-02-24 Sobhan Mohammadpour , Emmanuel Bengio , Emma Frejinger , Pierre-Luc Bacon

Generative Flow Networks or GFlowNets are related to Monte-Carlo Markov chain methods (as they sample from a distribution specified by an energy function), reinforcement learning (as they learn a policy to sample composed objects through a…

Machine Learning · Computer Science 2023-06-21 Ling Pan , Nikolay Malkin , Dinghuai Zhang , Yoshua Bengio

Graph neural networks (GNNs) have been demonstrated to be powerful in modeling graph-structured data. However, training GNNs usually requires abundant task-specific labeled data, which is often arduously expensive to obtain. One effective…

Machine Learning · Computer Science 2020-06-30 Ziniu Hu , Yuxiao Dong , Kuansan Wang , Kai-Wei Chang , Yizhou Sun

Potential-based reward shaping provides an approach for designing good reward functions, with the purpose of speeding up learning. However, automatically finding potential functions for complex environments is a difficult problem (in fact,…

Machine Learning · Computer Science 2021-02-22 Martin Klissarov , Doina Precup

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,…

Machine Learning · Computer Science 2023-05-30 Tianchun Wang , Farzaneh Mirzazadeh , Xiang Zhang , Jie Chen

Without any assumptions about data generation, multiple causal models may explain our observations equally well. To avoid selecting a single arbitrary model that could result in unsafe decisions if it does not match reality, it is therefore…

Machine Learning · Computer Science 2025-01-13 Tristan Deleu

The analogy to heat diffusion has enhanced our understanding of information flow in graphs and inspired the development of Graph Neural Networks (GNNs). However, most diffusion-based GNNs emulate passive heat diffusion, which still suffers…

Machine Learning · Computer Science 2025-10-23 Mengying Jiang

In this work, we consider the radio resource allocation problem in a wireless system with various integrated functionalities, such as communication, sensing and computing. We design suitable resource management techniques that can…

Machine Learning · Computer Science 2025-05-09 Charbel Bou Chaaya , Mehdi Bennis

Causal discovery aims to uncover causal structure among a set of variables. Score-based approaches mainly focus on searching for the best Directed Acyclic Graph (DAG) based on a predefined score function. However, most of them are not…

Machine Learning · Computer Science 2023-03-13 Wenqian Li , Yinchuan Li , Shengyu Zhu , Yunfeng Shao , Jianye Hao , Yan Pang

Multi-task reinforcement learning and meta-reinforcement learning have been developed to quickly adapt to new tasks, but they tend to focus on tasks with higher rewards and more frequent occurrences, leading to poor performance on tasks…

Machine Learning · Computer Science 2023-06-19 Xinyuan Ji , Xu Zhang , Wei Xi , Haozhi Wang , Olga Gadyatskaya , Yinchuan Li

Graphs neural networks (GNNs) learn node features by aggregating and combining neighbor information, which have achieved promising performance on many graph tasks. However, GNNs are mostly treated as black-boxes and lack human intelligible…

Machine Learning · Computer Science 2020-06-05 Hao Yuan , Jiliang Tang , Xia Hu , Shuiwang Ji

Graph neural networks (GNNs) are widely applied in graph data modeling. However, existing GNNs are often trained in a task-driven manner that fails to fully capture the intrinsic nature of the graph structure, resulting in sub-optimal node…

Machine Learning · Computer Science 2024-07-17 Zhenhua Huang , Kunhao Li , Shaojie Wang , Zhaohong Jia , Wentao Zhu , Sharad Mehrotra

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…

Machine Learning · Computer Science 2025-05-06 Tianshu Yu

Generative Flow Networks (or GFlowNets for short) are a family of probabilistic agents that learn to sample complex combinatorial structures through the lens of "inference as control". They have shown great potential in generating…

Machine Learning · Computer Science 2023-06-27 Ling Pan , Dinghuai Zhang , Moksh Jain , Longbo Huang , Yoshua Bengio