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While Graph Neural Networks (GNNs) have recently become the de facto standard for modeling relational data, they impose a strong assumption on the availability of the node or edge features of the graph. In many real-world applications,…

Machine Learning · Computer Science 2022-05-24 Emanuele Rossi , Henry Kenlay , Maria I. Gorinova , Benjamin Paul Chamberlain , Xiaowen Dong , Michael Bronstein

Graphs serve as fundamental descriptors for systems composed of interacting elements, capturing a wide array of data types, from molecular interactions to social networks and knowledge graphs. In this paper, we present an exhaustive review…

Machine Learning · Computer Science 2024-11-13 Chenqing Hua

The development of diffusion-based generative models over the past decade has largely proceeded independently of progress in representation learning. These diffusion models typically rely on regression-based objectives and generally lack…

Computer Vision and Pattern Recognition · Computer Science 2025-07-25 Runqian Wang , Kaiming He

Can neural networks learn to compare graphs without feature engineering? In this paper, we show that it is possible to learn representations for graph similarity with neither domain knowledge nor supervision (i.e.\ feature engineering or…

Machine Learning · Computer Science 2019-04-23 Rami Al-Rfou , Dustin Zelle , Bryan Perozzi

Diffusion models are capable of impressive feats of image generation with uncommon juxtapositions such as astronauts riding horses on the moon with properly placed shadows. These outputs indicate the ability to perform compositional…

Machine Learning · Computer Science 2024-05-01 Qiyao Liang , Ziming Liu , Ila Fiete

Recently, transformers have shown promising performance in learning graph representations. However, there are still some challenges when applying transformers to real-world scenarios due to the fact that deep transformers are hard to train…

Machine Learning · Computer Science 2022-05-13 Sixiao Zhang , Hongxu Chen , Haoran Yang , Xiangguo Sun , Philip S. Yu , Guandong Xu

Graph Neural Networks (GNNs) are highly vulnerable to adversarial attacks, which can greatly degrade their performance. Existing graph purification methods attempt to address this issue by filtering attacked graphs. However, they struggle…

Machine Learning · Computer Science 2026-04-13 Xin He , Wenqi Fan , Yili Wang , Chengyi Liu , Rui Miao , Xin Juan , Xin Wang

Generating photos satisfying multiple constraints find broad utility in the content creation industry. A key hurdle to accomplishing this task is the need for paired data consisting of all modalities (i.e., constraints) and their…

Computer Vision and Pattern Recognition · Computer Science 2023-04-21 Nithin Gopalakrishnan Nair , Wele Gedara Chaminda Bandara , Vishal M. Patel

Machine learning models that operate on graph-structured data, such as molecular graphs or social networks, often make accurate predictions but offer little insight into why certain predictions are made. Counterfactual explanations address…

Machine Learning · Computer Science 2025-11-21 David Bechtoldt , Sidney Bender

We present a concise, self-contained derivation of diffusion-based generative models. Starting from basic properties of Gaussian distributions (densities, quadratic expectations, re-parameterisation, products, and KL divergences), we…

Machine Learning · Computer Science 2025-11-18 Sepehr Maleki , Negar Pourmoazemi

Joint machine learning models that allow synthesizing and classifying data often offer uneven performance between those tasks or are unstable to train. In this work, we depart from a set of empirical observations that indicate the…

Machine Learning · Computer Science 2023-04-06 Kamil Deja , Tomasz Trzcinski , Jakub M. Tomczak

Deep generative models (DGM) are neural networks with many hidden layers trained to approximate complicated, high-dimensional probability distributions using a large number of samples. When trained successfully, we can use the DGMs to…

Machine Learning · Computer Science 2021-04-13 Lars Ruthotto , Eldad Haber

Joint-embedding predictive architectures (JEPAs) have shown substantial promise in self-supervised representation learning, yet their application in generative modeling remains underexplored. Conversely, diffusion models have demonstrated…

Machine Learning · Computer Science 2025-02-05 Dengsheng Chen , Jie Hu , Xiaoming Wei , Enhua Wu

Probabilistic graphical modeling (PGM) provides a framework for formulating an interpretable generative process of data and expressing uncertainty about unknowns, but it lacks flexibility. Deep learning (DL) is an alternative framework for…

Machine Learning · Statistics 2021-04-27 Adji B. Dieng

In this work, we address the challenge of multi-task image generation with limited data for denoising diffusion probabilistic models (DDPM), a class of generative models that produce high-quality images by reversing a noisy diffusion…

Machine Learning · Computer Science 2023-11-29 Delaram Pirhayatifard , Mohammad Taha Toghani , Guha Balakrishnan , César A. Uribe

In this work, we aim to classify nodes of unstructured peer-to-peer networks with communication uncertainty, such as users of decentralized social networks. Graph Neural Networks (GNNs) are known to improve the accuracy of simple…

Machine Learning · Computer Science 2022-03-17 Emmanouil Krasanakis , Symeon Papadopoulos , Ioannis Kompatsiaris

A prominent family of methods for learning data distributions relies on density ratio estimation (DRE), where a model is trained to $\textit{classify}$ between data samples and samples from some reference distribution. DRE-based models can…

Machine Learning · Computer Science 2024-11-01 Shahar Yadin , Noam Elata , Tomer Michaeli

Deep generative models have emerged as promising tools for detecting arbitrary anomalies in data, dispensing with the necessity for manual labelling. Recently, autoregressive transformers have achieved state-of-the-art performance for…

Large-scale graphs with node attributes are increasingly common in various real-world applications. Creating synthetic, attribute-rich graphs that mirror real-world examples is crucial, especially for sharing graph data for analysis and…

Machine Learning · Computer Science 2024-10-17 Mufei Li , Eleonora Kreačić , Vamsi K. Potluru , Pan Li

The development and evaluation of graph neural networks (GNNs) generally follow the independent and identically distributed (i.i.d.) assumption. Yet this assumption is often untenable in practice due to the uncontrollable data generation…

Machine Learning · Computer Science 2025-03-06 Yiming Xu , Bin Shi , Zhen Peng , Huixiang Liu , Bo Dong , Chen Chen