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Graph deep learning methods have become popular tools to process collections of correlated time series. Unlike traditional multivariate forecasting methods, graph-based predictors leverage pairwise relationships by conditioning forecasts on…

Machine Learning · Computer Science 2025-06-09 Andrea Cini , Ivan Marisca , Daniele Zambon , Cesare Alippi

Graph neural networks (GNNs) are a powerful tool to learn representations on graphs by iteratively aggregating features from node neighbourhoods. Many variant models have been proposed, but there is limited understanding on both how to…

Machine Learning · Computer Science 2019-11-14 Michael Lingzhi Li , Meng Dong , Jiawei Zhou , Alexander M. Rush

Diffusion generative models have emerged as a powerful framework for addressing problems in structural biology and structure-based drug design. These models operate directly on 3D molecular structures. Due to the unfavorable scaling of…

Biomolecules · Quantitative Biology 2024-05-10 Ian Dunn , David Ryan Koes

For autonomous agents to act as trustworthy partners to human users, they must be able to reliably communicate their competency for the tasks they are asked to perform. Towards this objective, we develop probabilistic world models based on…

Machine Learning · Computer Science 2022-03-25 Aastha Acharya , Rebecca Russell , Nisar R. Ahmed

The current understanding of deep neural networks can only partially explain how input structure, network parameters and optimization algorithms jointly contribute to achieve the strong generalization power that is typically observed in…

Machine Learning · Computer Science 2021-01-28 Francesco Craighero , Fabrizio Angaroni , Alex Graudenzi , Fabio Stella , Marco Antoniotti

Normalizing flows model complex probability distributions by combining a base distribution with a series of bijective neural networks. State-of-the-art architectures rely on coupling and autoregressive transformations to lift up invertible…

Machine Learning · Computer Science 2021-02-15 Antoine Wehenkel , Gilles Louppe

Recently, graph neural networks (GNNs) have proved to be suitable in tasks on unstructured data. Particularly in tasks as community detection, node classification, and link prediction. However, most GNN models still operate with static…

Machine Learning · Computer Science 2019-06-07 Darwin Saire Pilco , Adín Ramírez Rivera

Subgraph-enhanced graph neural networks (SGNN) can increase the expressive power of the standard message-passing framework. This model family represents each graph as a collection of subgraphs, generally extracted by random sampling or with…

Machine Learning · Computer Science 2023-04-17 Indro Spinelli , Michele Guerra , Filippo Maria Bianchi , Simone Scardapane

Gaussian Graphical Models provide a convenient framework for representing dependencies between variables. Recently, this tool has received a high interest for the discovery of biological networks. The literature focuses on the case where a…

Methodology · Statistics 2010-05-13 Julien Chiquet , Yves Grandvalet , Christophe Ambroise

Graph Neural Networks (GNNs) have shown great ability in modeling graph-structured data for various domains. However, GNNs are known as black-box models that lack interpretability. Without understanding their inner working, we cannot fully…

Machine Learning · Computer Science 2022-10-06 Enyan Dai , Suhang Wang

We propose a novel approach to learning the generative neural fields represented by linear combinations of implicit basis networks. Our algorithm learns basis networks in the form of implicit neural representations and their coefficients in…

Machine Learning · Computer Science 2023-10-31 Tackgeun You , Mijeong Kim , Jungtaek Kim , Bohyung Han

The problem of joint estimation of multiple graphical models from high dimensional data has been studied in the statistics and machine learning literature, due to its importance in diverse fields including molecular biology, neuroscience…

Methodology · Statistics 2019-07-04 Peyman Jalali , Kshitij Khare , George Michailidis

Generative adversarial networks (GANs) have given us a great tool to fit implicit generative models to data. Implicit distributions are ones we can sample from easily, and take derivatives of samples with respect to model parameters. These…

Machine Learning · Statistics 2017-02-28 Ferenc Huszár

We investigate a generic problem of learning pairwise exponential family graphical models with pairwise sufficient statistics defined by a global mapping function, e.g., Mercer kernels. This subclass of pairwise graphical models allow us to…

Machine Learning · Statistics 2013-11-25 Xiao-Tong Yuan , Ping Li , Tong Zhang

Present-day graphical user interfaces (GUIs) exhibit diverse arrangements of text, graphics, and interactive elements such as buttons and menus, but representations of GUIs have not kept up. They do not encapsulate both semantic and…

Human-Computer Interaction · Computer Science 2024-04-23 Yue Jiang , Changkong Zhou , Vikas Garg , Antti Oulasvirta

Aiming at a comprehensive and concise tutorial survey, recap of variational inference and reinforcement learning with Probabilistic Graphical Models are given with detailed derivations. Reviews and comparisons on recent advances in deep…

Machine Learning · Computer Science 2019-12-10 Xudong Sun , Bernd Bischl

Despite decades of research, understanding human manipulation activities is, and has always been, one of the most attractive and challenging research topics in computer vision and robotics. Recognition and prediction of observed human…

Computer Vision and Pattern Recognition · Computer Science 2021-10-27 Gamze Akyol , Sanem Sariel , Eren Erdal Aksoy

Learning the right graph representation from noisy, multisource data has garnered significant interest in recent years. A central tenet of this problem is relational learning. Here the objective is to incorporate the partial information…

Machine Learning · Computer Science 2014-01-15 Rajmonda Caceres , Kevin Carter , Jeremy Kun

Molecular property calculations are the bedrock of chemical physics. High-fidelity \textit{ab initio} modeling techniques for computing the molecular properties can be prohibitively expensive, and motivate the development of…

Machine Learning · Computer Science 2022-11-28 Hatem Helal , Jesun Firoz , Jenna Bilbrey , Mario Michael Krell , Tom Murray , Ang Li , Sotiris Xantheas , Sutanay Choudhury

In this work, we aim to leverage prior symbolic knowledge to improve the performance of deep models. We propose a graph embedding network that projects propositional formulae (and assignments) onto a manifold via an augmented Graph…

Artificial Intelligence · Computer Science 2019-10-30 Yaqi Xie , Ziwei Xu , Mohan S. Kankanhalli , Kuldeep S. Meel , Harold Soh
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