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In this work, we develop a new approach to generative density estimation for exchangeable, non-i.i.d. data. The proposed framework, FlowScan, combines invertible flow transformations with a sorted scan to flexibly model the data while…

Machine Learning · Computer Science 2019-09-20 Christopher Bender , Kevin O'Connor , Yang Li , Juan Jose Garcia , Manzil Zaheer , Junier Oliva

Normalizing flows transform a latent distribution through an invertible neural network for a flexible and pleasingly simple approach to generative modelling, while preserving an exact likelihood. We propose FlowGMM, an end-to-end approach…

Machine Learning · Computer Science 2020-01-01 Pavel Izmailov , Polina Kirichenko , Marc Finzi , Andrew Gordon Wilson

Graph Neural Network (GNN) is a powerful tool to perform standard machine learning on graphs. To have a Euclidean representation of every node in the Non-Euclidean graph-like data, GNN follows neighbourhood aggregation and combination of…

Machine Learning · Computer Science 2021-11-18 Sucheta Dawn , Sanghamitra Bandyopadhyay

Adversarial learning of probabilistic models has recently emerged as a promising alternative to maximum likelihood. Implicit models such as generative adversarial networks (GAN) often generate better samples compared to explicit models…

Machine Learning · Computer Science 2018-01-08 Aditya Grover , Manik Dhar , Stefano Ermon

Due to the representation limitation of the joint Q value function, multi-agent reinforcement learning methods with linear value decomposition (LVD) or monotonic value decomposition (MVD) suffer from relative overgeneralization. As a…

Multiagent Systems · Computer Science 2026-03-05 Lipeng Wan , Zeyang Liu , Xingyu Chen , Han Wang , Xuguang Lan

This paper presents a novel generative model to synthesize fluid simulations from a set of reduced parameters. A convolutional neural network is trained on a collection of discrete, parameterizable fluid simulation velocity fields. Due to…

Machine Learning · Computer Science 2019-09-05 Byungsoo Kim , Vinicius C. Azevedo , Nils Thuerey , Theodore Kim , Markus Gross , Barbara Solenthaler

In this paper, we explore the use of multi-agent deep learning as well as learning to cooperate principles to meet stringent service level agreements, in terms of throughput and end-to-end delay, for a set of classified network flows. We…

Networking and Internet Architecture · Computer Science 2022-05-25 Hassan Fawaz , Julien Lesca , Pham Tran Anh Quang , Jérémie Leguay , Djamal Zeghlache , Paolo Medagliani

Deep generative models such as flow and diffusion models have proven to be effective in modeling high-dimensional and complex data types such as videos or proteins, and this has motivated their use in different data modalities, such as…

Machine Learning · Computer Science 2025-04-08 Ege Erdogan

Statistical generative models for molecular graphs attract attention from many researchers from the fields of bio- and chemo-informatics. Among these models, invertible flow-based approaches are not fully explored yet. In this paper, we…

Machine Learning · Computer Science 2019-10-01 Shion Honda , Hirotaka Akita , Katsuhiko Ishiguro , Toshiki Nakanishi , Kenta Oono

In this work, we propose the Generative Latent Flow (GLF), an algorithm for generative modeling of the data distribution. GLF uses an Auto-encoder (AE) to learn latent representations of the data, and a normalizing flow to map the…

Computer Vision and Pattern Recognition · Computer Science 2019-09-24 Zhisheng Xiao , Qing Yan , Yali Amit

Generative models see increasing use in computer-aided drug design. However, while performing well at capturing distributions of molecular motifs, they often produce synthetically inaccessible molecules. To address this, we introduce…

Flow matching casts sample generation as learning a continuous-time velocity field that transports noise to data. Existing flow matching networks typically predict each point's velocity independently, considering only its location and time…

Machine Learning · Computer Science 2025-11-11 Md Shahriar Rahim Siddiqui , Moshe Eliasof , Eldad Haber

Quantum Graph Neural Networks (QGNNs) offer a promising approach to combining quantum computing with graph-structured data processing. While classical Graph Neural Networks (GNNs) are scalable and robust, existing QGNNs often lack…

Quantum Physics · Physics 2026-01-13 Arthur M. Faria , Ignacio F. Graña , Savvas Varsamopoulos

Graph neural networks (GNNs) have emerged as powerful tools to accurately predict materials and molecular properties in computational discovery pipelines. In this article, we exploit the invertible nature of these neural networks to…

Machine Learning · Computer Science 2024-06-06 Félix Therrien , Edward H. Sargent , Oleksandr Voznyy

We propose Generative Well-intentioned Networks (GWINs), a novel framework for increasing the accuracy of certainty-based, closed-world classifiers. A conditional generative network recovers the distribution of observations that the…

Machine Learning · Computer Science 2019-10-29 Justin Cosentino , Jun Zhu

Graph neural networks (GNNs) have been applied into a variety of graph tasks. Most existing work of GNNs is based on the assumption that the given graph data is optimal, while it is inevitable that there exists missing or incomplete edges…

Machine Learning · Computer Science 2022-05-13 Qianggang Ding , Deheng Ye , Tingyang Xu , Peilin Zhao

Due to the representation limitation of the joint Q value function, multi-agent reinforcement learning methods with linear value decomposition (LVD) or monotonic value decomposition (MVD) suffer from relative overgeneralization. As a…

Multiagent Systems · Computer Science 2022-11-23 Lipeng Wan , Zeyang Liu , Xingyu Chen , Xuguang Lan , Nanning Zheng

One of the grand challenges of cell biology is inferring the gene regulatory network (GRN) which describes interactions between genes and their products that control gene expression and cellular function. We can treat this as a causal…

Machine Learning · Computer Science 2023-12-27 Lazar Atanackovic , Alexander Tong , Bo Wang , Leo J. Lee , Yoshua Bengio , Jason Hartford

Counterfactual explanations (CFs) provide human-interpretable insights into model's predictions by identifying minimal changes to input features that would alter the model's output. However, existing methods struggle to generate multiple…

Machine Learning · Computer Science 2026-02-20 Oleksii Furman , Patryk Marszałek , Jan Masłowski , Piotr Gaiński , Maciej Zięba , Marek Śmieja

The Graph Neural Network (GNN) has been widely used for graph data representation. However, the existing researches only consider the ideal balanced dataset, and the imbalanced dataset is rarely considered. Traditional methods such as…

Machine Learning · Computer Science 2022-05-10 S. Shi , Kai Qiao , Shuai Yang , L. Wang , J. Chen , Bin Yan