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Generative Flow Networks (GFlowNets) are a family of probabilistic generative models that learn to sample compositional objects proportional to their rewards. One big challenge of GFlowNets is training them effectively when dealing with…

Machine Learning · Computer Science 2025-06-16 Zarif Ikram , Ling Pan , Dianbo Liu

Graph neural networks (GNNs) have been successfully applied to learning representation on graphs in many relational tasks. Recently, researchers study neural architecture search (NAS) to reduce the dependence of human expertise and explore…

Machine Learning · Computer Science 2021-09-06 Shaofei Cai , Liang Li , Xinzhe Han , Zheng-jun Zha , Qingming Huang

A new model for evolving Evolutionary Algorithms (EAs) is proposed in this paper. The model is based on the Multi Expression Programming (MEP) technique. Each MEP chromosome encodes an evolutionary pattern that is repeatedly used for…

Neural and Evolutionary Computing · Computer Science 2021-10-13 Mihai Oltean

Graph Neural Networks (GNNs) perform effectively when training and testing graphs are drawn from the same distribution, but struggle to generalize well in the face of distribution shifts. To address this issue, existing mainstreaming graph…

Machine Learning · Computer Science 2024-12-18 Yujie Wang , Kui Yu , Yuhong Zhang , Fuyuan Cao , Jiye Liang

Graph neural networks (GNNs) continue to achieve state-of-the-art performance on many graph learning tasks, but rely on the assumption that a given graph is a sufficient approximation of the true neighborhood structure. When a system…

Machine Learning · Computer Science 2023-02-08 Steven J. Krieg , William C. Burgis , Patrick M. Soga , Nitesh V. Chawla

Recently, graph-based models designed for downstream tasks have significantly advanced research on graph neural networks (GNNs). GNN baselines based on neural message-passing mechanisms such as GCN and GAT perform worse as the network…

Machine Learning · Computer Science 2023-01-26 Jiayuan Chen , Xiang Zhang , Yinfei Xu , Tianli Zhao , Renjie Xie , Wei Xu

Graph Neural Networks (GNNs) extend basic Neural Networks (NNs) by additionally making use of graph structure based on the relational inductive bias (edge bias), rather than treating the nodes as collections of independent and identically…

Machine Learning · Computer Science 2023-11-07 Sitao Luan , Chenqing Hua , Qincheng Lu , Jiaqi Zhu , Xiao-Wen Chang , Doina Precup

Two architectures that generalize convolutional neural networks (CNNs) for the processing of signals supported on graphs are introduced. We start with the selection graph neural network (GNN), which replaces linear time invariant filters…

Signal Processing · Electrical Eng. & Systems 2019-01-30 Fernando Gama , Antonio G. Marques , Geert Leus , Alejandro Ribeiro

NeuroEvolution (NE) methods are known for applying Evolutionary Computation to the optimisation of Artificial Neural Networks(ANNs). Despite aiding non-expert users to design and train ANNs, the vast majority of NE approaches disregard the…

Neural and Evolutionary Computing · Computer Science 2020-04-02 Filipe Assunção , Nuno Lourenço , Bernardete Ribeiro , Penousal Machado

Deep artificial neural networks (DNNs) are typically trained via gradient-based learning algorithms, namely backpropagation. Evolution strategies (ES) can rival backprop-based algorithms such as Q-learning and policy gradients on…

Neural and Evolutionary Computing · Computer Science 2018-04-24 Felipe Petroski Such , Vashisht Madhavan , Edoardo Conti , Joel Lehman , Kenneth O. Stanley , Jeff Clune

Graph Neural Networks (GNNs) are routinely used in molecular physics, social sciences, and economics to model many-body interactions in graph-like systems. However, GNNs are inherently local and can suffer from information flow bottlenecks.…

Computational Physics · Physics 2025-02-21 Alessandro Caruso , Jacopo Venturin , Lorenzo Giambagli , Edoardo Rolando , Frank Noé , Cecilia Clementi

Distinguishing the automorphic equivalence of nodes in a graph plays an essential role in many scientific domains, e.g., computational biologist and social network analysis. However, existing graph neural networks (GNNs) fail to capture…

Machine Learning · Computer Science 2021-11-10 Fengli Xu , Quanming Yao , Pan Hui , Yong Li

Graph Convolutional Neural Networks (GCNNs) are generalizations of CNNs to graph-structured data, in which convolution is guided by the graph topology. In many cases where graphs are unavailable, existing methods manually construct graphs…

Machine Learning · Computer Science 2019-09-17 Xiang Gao , Wei Hu , Zongming Guo

In this work, we leverage ensemble learning as a tool for the creation of faster, smaller, and more accurate deep learning models. We demonstrate that we can jointly optimize for accuracy, inference time, and the number of parameters by…

Neural and Evolutionary Computing · Computer Science 2021-05-04 Marc Ortiz , Florian Scheidegger , Marc Casas , Cristiano Malossi , Eduard Ayguadé

Entity alignment (EA) aims to find equivalent entities in different knowledge graphs (KGs). State-of-the-art EA approaches generally use Graph Neural Networks (GNNs) to encode entities. However, most of them train the models and evaluate…

Computation and Language · Computer Science 2023-04-17 Junyang Wu , Tianyi Li , Lu Chen , Yunjun Gao , Ziheng Wei

Spectral graph convolutional neural networks (GCNNs) have been producing encouraging results in graph classification tasks. However, most spectral GCNNs utilize fixed graphs when aggregating node features, while omitting edge feature…

Computer Vision and Pattern Recognition · Computer Science 2022-10-06 Yang Yi , Xuequan Lu , Shang Gao , Antonio Robles-Kelly , Yuejie Zhang

Estimation of Distribution Algorithms (EDAs) require flexible probability models that can be efficiently learned and sampled. Generative Adversarial Networks (GAN) are generative neural networks which can be trained to implicitly model the…

Neural and Evolutionary Computing · Computer Science 2016-08-09 Malte Probst

Graph autoencoders (AE) and variational autoencoders (VAE) recently emerged as powerful node embedding methods, with promising performances on challenging tasks such as link prediction and node clustering. Graph AE, VAE and most of their…

Machine Learning · Computer Science 2019-10-03 Guillaume Salha , Romain Hennequin , Michalis Vazirgiannis

Evolutionary algorithms (EAs), a large class of general purpose optimization algorithms inspired from the natural phenomena, are widely used in various industrial optimizations and often show excellent performance. This paper presents an…

Neural and Evolutionary Computing · Computer Science 2014-04-14 Yang Yu , Hong Qian

Even a slight perturbation in the graph structure can cause a significant drop in the accuracy of graph neural networks (GNNs). Most existing attacks leverage gradient information to perturb edges. This relaxes the attack's optimization…

Machine Learning · Computer Science 2025-07-14 Mohammad Sadegh Akhondzadeh , Soroush H. Zargarbashi , Jimin Cao , Aleksandar Bojchevski